Cas no 1261928-15-7 (4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid)

4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid is a fluorinated benzoic acid derivative with a chloro-fluorophenyl substituent, offering unique reactivity and structural properties for pharmaceutical and agrochemical applications. Its distinct substitution pattern enhances electronic effects, making it a valuable intermediate in the synthesis of bioactive compounds. The presence of halogen atoms (fluorine and chlorine) improves metabolic stability and binding affinity in target molecules. This compound is particularly useful in medicinal chemistry for developing enzyme inhibitors or receptor modulators due to its balanced lipophilicity and steric profile. High purity and consistent quality ensure reliable performance in research and industrial processes.
4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid structure
1261928-15-7 structure
Product Name:4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid
CAS No:1261928-15-7
MF:C13H7ClF2O2
MW:268.643289804459
MDL:MFCD18321000
CID:2764064
PubChem ID:53226891
Update Time:2025-06-30

4-(3-Chloro-5-fluorophenyl)-2-fluorobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 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
    • 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

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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