![ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/6632/663201-65-8.webp)
ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 663201-65-8) is a chemical compound with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: AM-879/42240748, ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-((1-phenyl-1H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ETHYL 4-({2-[(1-PHENYL-1H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETYL}AMINO)BENZOATE
| Molecular Formula | C19H18N4O3S |
|---|---|
| Molecular Weight | 382.11 g/mol |
| LogP | 3.1748 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 382.10995 |
| Heavy Atoms | 27 |
| Complexity | 910.21893 |
Chemical Identifiers
| CAS Number | 663201-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN(C=N2)C3=CC=CC=C3 |
Product Overview
ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 663201-65-8), with molecular formula C19H18N4O3S and molecular weight 382.11 g/mol. IUPAC: ethyl 4-[[2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.1748 indicates that ethyl 4-({[(1-phenyl-1H-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 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, ethyl 4-({[(1-phenyl-1H-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 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 663201-65-8.
What is the molecular formula of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C19H18N4O3S.
What is the molecular weight of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 382.11 g/mol.
Where can I buy ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for ethyl 4-({[(1-phenyl-1H-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 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-({[(1-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.