![4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid structure](/static/products/3384/338403-15-9.webp)
4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid
TL;DR: 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid (CAS 338403-15-9) is a chemical compound with molecular formula C19H11ClFN3O3 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenylamino]benzoic acid
Also Known As: 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid, 4-[2-[3-(2-chloro-6-fluoro-phenyl)-4-cyano-1,2-oxazol-5-yl]ethenylamino]benzoic Acid, 4-[2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenylamino]benzoic acid
| Molecular Formula | C19H11ClFN3O3 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 4.78678 |
| Topological Polar Surface Area | 99.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.0473 |
| Heavy Atoms | 27 |
| Complexity | 1048.5442 |
Chemical Identifiers
| CAS Number | 338403-15-9 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)C2=NOC(=C2C#N)C=CNC3=CC=C(C=C3)C(=O)O)F |
Product Overview
4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid (CAS 338403-15-9), with molecular formula C19H11ClFN3O3 and molecular weight 383.05 g/mol. IUPAC: 4-[2-[3-(2-chloro-6-fluorophenyl)-4-cyano-1,2-oxazol-5-yl]ethenylamino]benzoic acid.
Chemical Property Profile of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid
Property Insights of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid
The XLogP value of 4.78678 indicates that 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid. Following Lipinski's Rule of Five, 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid?
The CAS number of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid is 338403-15-9.
What is the molecular formula of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid?
The molecular formula of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid is C19H11ClFN3O3.
What is the molecular weight of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid?
The molecular weight of 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid is 383.05 g/mol.
Where can I buy 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid?
You can request a quote for 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-[3-(2-chloro-6-fluorophenyl)-4-cyano-5-isoxazolyl]vinyl}amino)benzenecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.