Cas no 4449-55-2 (Warangalone)
Warangalone Chemical and Physical Properties
Names and Identifiers
-
- 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-
- Warangalone
- 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl...
- 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
- Scandenolone
- Scandenone
- [ "Scandenone" ]
- AKOS015896248
- LMPK12050205
- 5-Hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-2H,6H-pyrano[3,2-g]chromen-6-one #
- FT-0655477
- A826605
- 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(p-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-
- 2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-
- HY-N1074
- HGHOPAZIUPORIN-UHFFFAOYSA-N
- DTXSID40196193
- B0005-418142
- XW161525
- 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-en-1-yl)-2H,6H-pyrano[3,2-g]chromen-6-one
- Warangalon
- 2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-
- CS-8196
- NS00067919
- SCHEMBL571534
- 4449-55-2
- CHEMBL458134
- MS-26917
- 2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 5-hydroxy-7-(p-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-
- DA-78948
- DTXCID50118684
- 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-one
-
- Inchi: 1S/C25H24O5/c1-14(2)5-10-18-23-17(11-12-25(3,4)30-23)21(27)20-22(28)19(13-29-24(18)20)15-6-8-16(26)9-7-15/h5-9,11-13,26-27H,10H2,1-4H3
- InChI Key: HGHOPAZIUPORIN-UHFFFAOYSA-N
- SMILES: O1C2C(C=CC1(C)C)=C(C1C(C(C3C=CC(=CC=3)O)=COC=1C=2C/C=C(\C)/C)=O)O
Computed Properties
- Exact Mass: 404.16200
- Monoisotopic Mass: 404.162374
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 752
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: 10
- XLogP3: 5.9
- Topological Polar Surface Area: 76
Experimental Properties
- Color/Form: Yellow powder
- Density: 1.258
- Melting Point: 164-165 °C
- Boiling Point: 627°Cat760mmHg
- Flash Point: 216.7°C
- Refractive Index: 1.627
- PSA: 79.90000
- LogP: 5.56410
- Vapor Pressure: 0.2±0.4 mmHg at 25°C
Warangalone Security Information
- Hazard Statement: H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Powder -20°C 3 years ? 4°C 2 years In solvent -80°C 6 months ? -20°C 1 month
Warangalone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-8196-1mg |
Warangalone |
4449-55-2 | >98.0% | 1mg |
$401.0 | 2022-04-27 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | W19150-5mg |
Warangalone |
4449-55-2 | ,HPLC≥98% | 5mg |
¥5280.0 | 2023-09-06 | |
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TQ0072-5 mg |
Warangalone |
4449-55-2 | 5mg |
¥9500.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TQ0072-10 mg |
Warangalone |
4449-55-2 | 10mg |
¥16000.00 | 2022-04-26 | ||
| SHANG HAI TAO SHU Biotechnology Co., Ltd. | TQ0072-25 mg |
Warangalone |
4449-55-2 | 25mg |
¥32000.00 | 2022-04-26 | ||
| WU HAN AN JIE KAI Biomedical Technology Co., Ltd. | ajce45956-1mg |
Warangalone (Scandenolone) |
4449-55-2 | 98% | 1mg |
¥3120.00 | 2023-09-08 | |
| TRC | W498525-10mg |
Warangalone |
4449-55-2 | 10mg |
$190.00 | 2023-05-17 | ||
| TRC | W498525-50mg |
Warangalone |
4449-55-2 | 50mg |
$873.00 | 2023-05-17 | ||
| TRC | W498525-100mg |
Warangalone |
4449-55-2 | 100mg |
$1499.00 | 2023-05-17 | ||
| MedChemExpress | HY-N1074-1mg |
Warangalone |
4449-55-2 | 1mg |
¥3341 | 2025-04-16 |
Warangalone Related Literature
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C. P. Falshaw,R. A. Harmer,W. D. Ollis,R. E. Wheeler,V. R. Lalitha,N. V. Subba Rao J. Chem. Soc. C 1969 374
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Gerard M. Boland,Dervilla M. X. Donnelly Nat. Prod. Rep. 1998 15 241
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Rudy Simons,Harry Gruppen,Toine F. H. Bovee,Marian A. Verbruggen,Jean-Paul Vincken Food Funct. 2012 3 810
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Jo?l Reynaud,David Guilet,Raphael Terreux,Monique Lussignol,Nadia Walchshofer Nat. Prod. Rep. 2005 22 504
Additional information on Warangalone
Introduction to Warangalone (CAS No. 4449-55-2)
Warangalone, a naturally occurring compound with the chemical name (1R,5S)-5-methyl-1-hydroxy-4-isopropenyl-7-octen-3-one, is a molecule of significant interest in the field of chemical biology and pharmaceutical research. Its unique structural features and biological activities have positioned it as a promising candidate for further investigation in various therapeutic applications. This compound, identified by its unique CAS No. 4449-55-2, has garnered attention due to its potential role in modulating biological pathways and its structural similarity to other bioactive natural products.
The molecular structure of Warangalone consists of a complex blend of functional groups, including hydroxyl, methyl, and isopropenyl substituents, which contribute to its diverse chemical reactivity. These features make it an intriguing subject for synthetic chemists and biochemists alike, as they offer opportunities for structural modifications and the development of novel derivatives with enhanced pharmacological properties.
Recent advancements in analytical chemistry have enabled more precise characterization of Warangalone, revealing insights into its stereochemistry and conformational dynamics. Techniques such as nuclear magnetic resonance (NMR) spectroscopy and X-ray crystallography have been instrumental in elucidating its three-dimensional structure, which is crucial for understanding its biological interactions. The stereochemical configuration of Warangalone, particularly the absolute configuration at the C1 and C5 positions, has been found to be critical for its biological activity.
In the realm of pharmacological research, Warangalone has shown promise as a potential therapeutic agent. Initial studies have highlighted its ability to interact with specific biological targets, including enzymes and receptors involved in inflammatory responses. The compound's structural motif resembles that of known bioactive molecules, suggesting that it may exert similar effects on cellular processes. For instance, preliminary in vitro experiments have indicated that Warangalone can modulate the activity of certain enzymes associated with inflammation, potentially making it a valuable candidate for developing anti-inflammatory drugs.
Moreover, the natural occurrence of Warangalone in specific plant species has sparked interest in its ecological roles. Research has suggested that this compound may serve as a defense mechanism against herbivores or pathogens, showcasing the intricate relationship between chemical diversity and ecological interactions. The discovery of such natural products often provides valuable inspiration for synthetic chemists aiming to develop new drugs with similar biological activities.
The synthesis of Warangalone remains a challenging yet fascinating endeavor for organic chemists. The complexity of its molecular framework necessitates innovative synthetic strategies to achieve high yields and enantiopurity. Recent reports have described novel synthetic routes that leverage asymmetric catalysis to construct the key stereocenters of the molecule efficiently. These advances not only contribute to the growing library of synthetic methodologies but also enhance our ability to produce sufficient quantities of Warangalone for further biological testing.
As our understanding of the biological significance of natural products continues to expand, compounds like Warangalone are likely to play an increasingly important role in drug discovery and development. The integration of interdisciplinary approaches, combining expertise from chemistry, biology, and pharmacology, will be essential in unlocking the full potential of this remarkable molecule. Future research directions may include exploring its mechanism of action in greater detail, identifying additional biological targets, and optimizing its pharmacokinetic properties for therapeutic use.
The journey from natural product discovery to clinical application is often long and arduous, but compounds like Warangalone highlight the enduring importance of exploring nature's chemical diversity. Each new discovery brings us closer to understanding the complex interplay between structure and function in biological systems, paving the way for innovative treatments and a deeper appreciation of the molecular basis of life.
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