![3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid structure](/static/products/3046/304662-31-5.webp)
3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid
TL;DR: 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid (CAS 304662-31-5) is a chemical compound with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid
Also Known As: 3-[2-(2h-[1,2,4]triazol-3-ylsulfanyl)acetylamino]-benzoic acid, BAS 00512505, BIM-0044076.P001, 3-(2-((1H-1,2,4-Triazol-5-yl)thio)acetamido)benzoic acid, 3-[2-(2H-[1,2,4]Triazol-3-ylsulfanyl)-acetylamino]-benzoic acid
| Molecular Formula | C11H10N4O3S |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 1.2337 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.04736 |
| Heavy Atoms | 19 |
| Complexity | 585.38605 |
Chemical Identifiers
| CAS Number | 304662-31-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)CSC2=NC=NN2)C(=O)O |
Product Overview
3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid (CAS 304662-31-5), with molecular formula C11H10N4O3S and molecular weight 278.05 g/mol. IUPAC: 3-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoic acid.
Chemical Property Profile of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid
Property Insights of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid
The XLogP value of 1.2337 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid. Following Lipinski's Rule of Five, 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid has 3 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 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid?
The CAS number of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid is 304662-31-5.
What is the molecular formula of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid?
The molecular formula of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid is C11H10N4O3S.
What is the molecular weight of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid?
The molecular weight of 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid is 278.05 g/mol.
Where can I buy 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid?
You can request a quote for 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[2-(2h-[1,2,4]Triazol-3-ylsulfanyl)acetylamino]-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.