ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
TL;DR: ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 862129-54-2) is a chemical compound with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl 2-{2-[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-ylthio]acetylamin o}acetate, ethyl 2-(2-{[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)acetate, ethyl 2-[[2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate, ethyl N-({[5-(3-chlorophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)glycinate
| Molecular Formula | C17H19ClN4O3S |
|---|---|
| Molecular Weight | 394.09 g/mol |
| LogP | 2.5559 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 394.08664 |
| Heavy Atoms | 26 |
| Complexity | 794.06525 |
Chemical Identifiers
| CAS Number | 862129-54-2 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1CC=C)C2=CC(=CC=C2)Cl |
Product Overview
ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate (CAS 862129-54-2), with molecular formula C17H19ClN4O3S and molecular weight 394.09 g/mol. IUPAC: ethyl 2-[[2-[[5-(3-chlorophenyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
Property Insights of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate
The XLogP value of 2.5559 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate. Following Lipinski's Rule of Five, ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate 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 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The CAS number of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 862129-54-2.
What is the molecular formula of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular formula of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is C17H19ClN4O3S.
What is the molecular weight of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
The molecular weight of ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate is 394.09 g/mol.
Where can I buy ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
You can request a quote for ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(2-((4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.