![methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate structure](/static/products/3465/346579-41-7.webp)
methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
TL;DR: methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate (CAS 346579-41-7) 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.
methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
Also Known As: BAS 04203787, methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate, methyl 2-(2-((4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-(2-(1H-1,2,4-triazol-3-ylthio)acetylamino)benzoate, methyl 2-{[(1H-1,2,4-triazol-3-ylsulfanyl)acetyl]amino}benzoate
| Molecular Formula | C12H12N4O3S |
|---|---|
| Molecular Weight | 292.06 g/mol |
| LogP | 1.3221 |
| Topological Polar Surface Area | 96.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 292.06302 |
| Heavy Atoms | 20 |
| Complexity | 600.5097 |
Chemical Identifiers
| CAS Number | 346579-41-7 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=NN2 |
Product Overview
methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate (CAS 346579-41-7), with molecular formula C12H12N4O3S and molecular weight 292.06 g/mol. IUPAC: methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
Property Insights of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate
The XLogP value of 1.3221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate. The TPSA of 96.97 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)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 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate?
The CAS number of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate is 346579-41-7.
What is the molecular formula of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate?
The molecular formula of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate is C12H12N4O3S.
What is the molecular weight of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate?
The molecular weight of methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate is 292.06 g/mol.
Where can I buy methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate?
You can request a quote for methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)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 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.