![4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid structure](/static/products/3387/338751-12-5.webp)
4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid
TL;DR: 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid (CAS 338751-12-5) is a chemical compound with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid
Also Known As: 4-[2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic Acid, 4-({2-[4-cyano-3-(methylsulfanyl)-5-isothiazolyl]vinyl}amino)benzenecarboxylic acid
| Molecular Formula | C14H11N3O2S2 |
|---|---|
| Molecular Weight | 317.03 g/mol |
| LogP | 3.51768 |
| Topological Polar Surface Area | 86.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.02927 |
| Heavy Atoms | 21 |
| Complexity | 714.8106 |
Chemical Identifiers
| CAS Number | 338751-12-5 |
|---|---|
| SMILES | CSC1=NSC(=C1C#N)C=CNC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid (CAS 338751-12-5), with molecular formula C14H11N3O2S2 and molecular weight 317.03 g/mol. IUPAC: 4-[2-(4-cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid.
Chemical Property Profile of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid
Property Insights of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid
The XLogP value of 3.51768 indicates that 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid. Following Lipinski's Rule of Five, 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid has 2 hydrogen bond donor(s) and 6 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-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid?
The CAS number of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid is 338751-12-5.
What is the molecular formula of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid?
The molecular formula of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid is C14H11N3O2S2.
What is the molecular weight of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid?
The molecular weight of 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid is 317.03 g/mol.
Where can I buy 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid?
You can request a quote for 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic 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-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(4-Cyano-3-methylsulfanyl-1,2-thiazol-5-yl)ethenylamino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.