![Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate structure](/static/products/7122/712282-63-8.webp)
Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate
TL;DR: Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate (CAS 712282-63-8) is a chemical compound with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, Ethyl 4-[[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ethyl 4-(2-{[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate, ethyl 4-[({[4-phenyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
| Molecular Formula | C24H21N5O3S |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 4.2368 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.1365 |
| Heavy Atoms | 33 |
| Complexity | 1228.2166 |
Chemical Identifiers
| CAS Number | 712282-63-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=N4 |
Product Overview
Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate (CAS 712282-63-8), with molecular formula C24H21N5O3S and molecular weight 459.14 g/mol. IUPAC: ethyl 4-[[2-[(4-phenyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate
Property Insights of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate
The XLogP value of 4.2368 indicates that Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate has 1 hydrogen bond donor(s) and 7 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-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate?
The CAS number of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate is 712282-63-8.
What is the molecular formula of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate?
The molecular formula of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate is C24H21N5O3S.
What is the molecular weight of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate?
The molecular weight of Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate is 459.14 g/mol.
Where can I buy Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate?
You can request a quote for Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]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-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[2-(4-phenyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.