Cas no 1261928-15-7 (4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid)
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- DTXSID80690509
- 1261928-15-7
- 4-(3-CHLORO-5-FLUOROPHENYL)-2-FLUOROBENZOIC ACID
- AKOS017552580
- 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid, 95%
- 3'-Chloro-3,5'-difluoro[1,1'-biphenyl]-4-carboxylic acid
- MFCD18321000
- 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid
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- MDL: MFCD18321000
- Inchi: 1S/C13H7ClF2O2/c14-9-3-8(4-10(15)6-9)7-1-2-11(13(17)18)12(16)5-7/h1-6H,(H,17,18)
- InChI Key: AUBUHYCYIXNWRW-UHFFFAOYSA-N
- SMILES: ClC1=CC(=CC(=C1)C1C=CC(C(=O)O)=C(C=1)F)F
Computed Properties
- Exact Mass: 268.0102635Da
- Monoisotopic Mass: 268.0102635Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 313
- 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
- XLogP3: 3.9
- Topological Polar Surface Area: 37.3?2
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB328202-5g |
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid, 95%; . |
1261928-15-7 | 95% | 5g |
€1159.00 | 2024-06-08 | |
| abcr | AB328202-5 g |
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid, 95%; . |
1261928-15-7 | 95% | 5g |
€1159.00 | 2023-04-26 |
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid
Introduction to 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic Acid (CAS No. 1261928-15-7)
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid, identified by its CAS number CAS No. 1261928-15-7, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and chemical research. This compound belongs to the class of benzoic acid derivatives, characterized by its unique structural features that include both chloro and fluoro substituents on the aromatic ring. These structural attributes not only contribute to its distinct chemical properties but also open up a wide range of potential applications, particularly in the development of novel therapeutic agents.
The significance of 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid lies in its potential as a key intermediate in the synthesis of various biologically active molecules. The presence of both chloro and fluoro groups on the phenyl ring enhances its reactivity, making it a valuable building block for medicinal chemists. Recent studies have highlighted its role in the design of inhibitors targeting specific enzymatic pathways, which are crucial for treating a variety of diseases, including cancer and inflammatory disorders.
In the realm of drug discovery, benzoic acid derivatives have been extensively studied due to their broad spectrum of biological activities. The structural motif of 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid allows for selective interactions with biological targets, thereby modulating physiological processes. For instance, research has demonstrated its efficacy in inhibiting certain kinases that are overexpressed in tumor cells, suggesting its potential as an anti-cancer agent. Additionally, its ability to cross the blood-brain barrier has opened avenues for exploring its applications in neuropharmacology.
The synthetic pathways for 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid involve multi-step organic reactions that require precise control over reaction conditions. The chloro and fluoro substituents necessitate careful handling to prevent unwanted side reactions, which underscores the importance of advanced synthetic techniques such as palladium-catalyzed cross-coupling reactions. These methods not only improve yield but also enhance the purity of the final product, ensuring its suitability for further biological evaluation.
Recent advancements in computational chemistry have further enhanced our understanding of the molecular interactions involving 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid. Molecular docking studies have revealed that this compound can bind effectively to several protein targets, providing insights into its mechanism of action. Such computational approaches are invaluable in predicting the pharmacological properties of new compounds before they are synthesized in the lab, thereby saving time and resources.
The pharmacokinetic profile of 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid is another critical aspect that has been thoroughly investigated. Studies have shown that this compound exhibits good oral bioavailability and moderate metabolic stability, making it a promising candidate for further development into a therapeutic drug. Additionally, its solubility characteristics have been optimized through structural modifications, which is essential for formulating effective drug delivery systems.
In conclusion, 4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid represents a significant advancement in the field of medicinal chemistry. Its unique structural features and versatile reactivity make it an indispensable tool for researchers developing new drugs. As our understanding of biological pathways continues to expand, compounds like this one will play an increasingly crucial role in addressing complex diseases. The ongoing research into its applications and mechanisms will undoubtedly lead to groundbreaking discoveries in the near future.
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