![ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7012/701274-66-0.webp)
ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 701274-66-0) is a chemical compound with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, Ethyl 3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 3-(2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C25H22N4O3S |
|---|---|
| Molecular Weight | 458.14 g/mol |
| LogP | 4.8418 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 458.14127 |
| Heavy Atoms | 33 |
| Complexity | 1243.0188 |
Chemical Identifiers
| CAS Number | 701274-66-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 701274-66-0), with molecular formula C25H22N4O3S and molecular weight 458.14 g/mol. IUPAC: ethyl 3-[[2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 4.8418 indicates that ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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 ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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 ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 701274-66-0.
What is the molecular formula of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C25H22N4O3S.
What is the molecular weight of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 458.14 g/mol.
Where can I buy ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]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 ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-({[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.