![4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid structure](/static/products/5651/565166-34-9.webp)
4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
TL;DR: 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid (CAS 565166-34-9) is a chemical compound with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid, 4-Chloro-2-[2-(4-methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid, 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic Acid, 4-Chloro-2-[[2-[(4-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl]amino]benzoic acid, 4-chloro-2-{2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
| Molecular Formula | C12H11ClN4O3S |
|---|---|
| Molecular Weight | 326.02 g/mol |
| LogP | 1.8975 |
| Topological Polar Surface Area | 97.11 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 326.02405 |
| Heavy Atoms | 21 |
| Complexity | 688.8921 |
Chemical Identifiers
| CAS Number | 565166-34-9 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=C(C=CC(=C2)Cl)C(=O)O |
Product Overview
4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid (CAS 565166-34-9), with molecular formula C12H11ClN4O3S and molecular weight 326.02 g/mol. IUPAC: 4-chloro-2-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
Property Insights of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid
The XLogP value of 1.8975 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid. The TPSA of 97.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid. Following Lipinski's Rule of Five, 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic 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-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The CAS number of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is 565166-34-9.
What is the molecular formula of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The molecular formula of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is C12H11ClN4O3S.
What is the molecular weight of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
The molecular weight of 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid is 326.02 g/mol.
Where can I buy 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
You can request a quote for 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}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-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-2-{2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamido}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.