![{2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester structure](/static/products/5779/577980-80-4.webp)
{2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester
TL;DR: {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester (CAS 577980-80-4) is a chemical compound with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester, ethyl 2-{2-[4-(4-chlorophenyl)-5-(4-pyridyl)-1,2,4-triazol-3-ylthio]acetylamin o}acetate, ethyl 2-(2-((4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-(2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
| Molecular Formula | C19H18ClN5O3S |
|---|---|
| Molecular Weight | 431.08 g/mol |
| LogP | 2.7541 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 431.08188 |
| Heavy Atoms | 29 |
| Complexity | 979.26953 |
Chemical Identifiers
| CAS Number | 577980-80-4 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=NC=C3 |
Product Overview
{2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester (CAS 577980-80-4), with molecular formula C19H18ClN5O3S and molecular weight 431.08 g/mol. IUPAC: ethyl 2-[[2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester
Property Insights of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester
The XLogP value of 2.7541 suggests moderate lipophilicity, balancing water solubility and membrane permeability for {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester. Following Lipinski's Rule of Five, {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester 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 {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester?
The CAS number of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester is 577980-80-4.
What is the molecular formula of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester?
The molecular formula of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester is C19H18ClN5O3S.
What is the molecular weight of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester?
The molecular weight of {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester is 431.08 g/mol.
Where can I buy {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester?
You can request a quote for {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for {2-[4-(4-Chloro-phenyl)-5-pyridin-4-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-acetylamino}-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.