![Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate structure](/static/products/876/876717-79-2.png)
Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate
TL;DR: Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate (CAS 876717-79-2) is a chemical compound with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 10755909, Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate, methyl 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl 3-({[(5-methyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate, 3-[2-(5-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetylamino]-benzoic acid methyl
| Molecular Formula | C13H14N4O3S |
|---|---|
| Molecular Weight | 306.08 g/mol |
| LogP | 1.63052 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.07867 |
| Heavy Atoms | 21 |
| Complexity | 656.37085 |
Chemical Identifiers
| CAS Number | 876717-79-2 |
|---|---|
| SMILES | CC1=NC(=NN1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC |
Product Overview
Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate (CAS 876717-79-2), with molecular formula C13H14N4O3S and molecular weight 306.08 g/mol. IUPAC: methyl 3-[[2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate
Property Insights of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate
The XLogP value of 1.63052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate. Following Lipinski's Rule of Five, Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate 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 Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate?
The CAS number of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate is 876717-79-2.
What is the molecular formula of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate?
The molecular formula of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate is C13H14N4O3S.
What is the molecular weight of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate?
The molecular weight of Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate is 306.08 g/mol.
Where can I buy Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate?
You can request a quote for Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[[2-[(3-methyl-1H-1,2,4-triazol-5-yl)thio]acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.