![methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate structure](/static/products/6945/694518-70-2.webp)
methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate
TL;DR: methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate (CAS 694518-70-2) is a chemical compound with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AH-487/42276492, methyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate, methyl 2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 2-(2-((4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C20H20N4O3S |
|---|---|
| Molecular Weight | 396.13 g/mol |
| LogP | 3.4824 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.1256 |
| Heavy Atoms | 28 |
| Complexity | 972.592 |
Chemical Identifiers
| CAS Number | 694518-70-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC=CC=C3 |
Product Overview
methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate (CAS 694518-70-2), with molecular formula C20H20N4O3S and molecular weight 396.13 g/mol. IUPAC: methyl 2-[[2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate
Property Insights of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate
The XLogP value of 3.4824 indicates that methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate has 1 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 methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate?
The CAS number of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate is 694518-70-2.
What is the molecular formula of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate?
The molecular formula of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate is C20H20N4O3S.
What is the molecular weight of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate?
The molecular weight of methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate is 396.13 g/mol.
Where can I buy methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate?
You can request a quote for methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-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 methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl2-({[(4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.