Cas no 885324-25-4 ((R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide)
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide Chemical and Physical Properties
Names and Identifiers
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- (R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
- (R)-3-(4-Acetylaminophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethylphenyl)propionamide
- PROPANAMIDE, 3-[4-(ACETYLAMINO)PHENOXY]-2-HYDROXY-2-METHYL-N-[4-NITRO-3-(TRIFLUOROMETHYL)PHENYL]-, (2R)-
- (R)-3-(4-Acetylaminophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-trifluoromethylphenyl)propionamide, analytical standard
- DTXSID10436497
- Propanamide,3-[4-(acetylamino)phenoxy]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-,(2R)-
- 885324-25-4
- SCHEMBL16871452
- BDBM50594917
- AKOS016843290
- (2R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
- EX-8407
- YVXVTLGIDOACBJ-GOSISDBHSA-N
- Andarine (GTX-007,S-4)
- CHEMBL511130
-
- MDL: MFCD13248607
- Inchi: 1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
- InChI Key: YVXVTLGIDOACBJ-GOSISDBHSA-N
- SMILES: FC(C1=C(C=CC(=C1)NC([C@@](C)(COC1C=CC(=CC=1)NC(C)=O)O)=O)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 441.11476979g/mol
- Monoisotopic Mass: 441.11476979g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 31
- Rotatable Bond Count: 10
- Complexity: 663
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 134?2
Experimental Properties
- Optical Activity: [α]/D -202±2°, c =?0.1 in methanol
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide Security Information
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | R073335-50mg |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 50mg |
$293.00 | 2023-05-17 | ||
| TRC | R073335-100mg |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 100mg |
$477.00 | 2023-05-17 | ||
| Chemenu | CM124326-1g |
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 95% | 1g |
$*** | 2023-03-29 | |
| TRC | R073335-2.5mg |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 2.5mg |
$173.00 | 2023-05-17 | ||
| TRC | R073335-10mg |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 10mg |
$661.00 | 2023-05-17 | ||
| TRC | R073335-25mg |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 25mg |
$1378.00 | 2023-05-17 | ||
| Alichem | A019116462-1g |
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 95% | 1g |
$400.00 | 2023-08-31 | |
| TRC | R073335-1g |
(R)-3-(4-Acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide |
885324-25-4 | 1g |
$ 4500.00 | 2023-09-06 |
(R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
Additional information on (R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
Comprehensive Overview of (R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide (CAS No. 885324-25-4)
The compound (R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide, identified by its CAS No. 885324-25-4, is a highly specialized chiral molecule with significant potential in pharmaceutical research and development. Its complex structure, featuring a hydroxy-2-methyl moiety and a nitro-trifluoromethylphenyl group, makes it a subject of interest for drug discovery targeting inflammation, pain management, and metabolic disorders. Researchers are increasingly exploring its role as a selective enzyme inhibitor or receptor modulator, aligning with current trends in precision medicine.
In recent years, the demand for chiral intermediates like 885324-25-4 has surged due to their utility in asymmetric synthesis. The compound’s acetamidophenoxy segment suggests potential applications in prodrug design, a hot topic in sustained-release formulations. Analytical techniques such as HPLC chiral separation and X-ray crystallography are critical for characterizing its stereochemical purity, a key concern for regulatory compliance in API manufacturing. Discussions on platforms like PubMed and ScienceDirect often highlight its relevance in structure-activity relationship (SAR) studies.
From an industrial perspective, scalability of (R)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)phenyl)propanamide synthesis remains a challenge. Green chemistry principles are being applied to optimize its production, addressing solvent waste reduction—a priority for ESG-conscious manufacturers. Patent analyses reveal growing IP activity around derivatives of this compound, particularly for kinase inhibition and GPCR targeting, reflecting its versatility in lead optimization.
Emerging computational tools like molecular docking and AI-driven drug design have accelerated research on CAS 885324-25-4. Its nitroaromatic and trifluoromethyl groups are frequently modeled for electron-withdrawing effects in medicinal chemistry. These features correlate with trending searches on "bioisosteric replacements" and "metabolic stability enhancement," indicating strong academic and commercial interest.
Stability studies of this compound under various pH conditions are critical for formulation scientists. The hydroxypropanamide backbone’s susceptibility to hydrolysis necessitates advanced lyophilization techniques or nanocarrier systems—topics dominating pharmaceutical forums. Furthermore, its logP and plasma protein binding characteristics are extensively documented in ADMET profiling databases, supporting its evaluation in BBB permeability studies for CNS drug development.
In conclusion, 885324-25-4 represents a multifaceted building block in modern drug discovery. Its structural complexity and functional group diversity position it at the intersection of fragment-based drug design and catalysis research, making it a recurring subject in high-impact journals and grant proposals worldwide.
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