![4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid structure](/static/products/696/696622-85-2.png)
4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid
TL;DR: 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid (CAS 696622-85-2) is a chemical compound with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid
Also Known As: CBKinase1_011988, CBKinase1_024388, A3570/0151488, 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoic acid, 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.54212 |
| Topological Polar Surface Area | 107.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 623.8876 |
Chemical Identifiers
| CAS Number | 696622-85-2 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC(=O)NC2=CC=C(C=C2)C(=O)O |
Product Overview
4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid (CAS 696622-85-2), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: 4-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoic acid.
Chemical Property Profile of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid
Property Insights of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid
The XLogP value of 1.54212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid. The TPSA of 107.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid. Following Lipinski's Rule of Five, 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)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 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid?
The CAS number of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid is 696622-85-2.
What is the molecular formula of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid?
The molecular formula of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid is C12H12N4O3S.
What is the molecular weight of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid?
The molecular weight of 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid is 292.06 g/mol.
Where can I buy 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid?
You can request a quote for 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)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-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.