![Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate structure](/static/products/5869/586983-34-8.webp)
Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate
TL;DR: Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate (CAS 586983-34-8) is a chemical compound with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate
Also Known As: ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate, Ethyl 2-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate, ethyl 2-(2-((4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)acetate, ethyl N-{[(4-amino-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}glycinate
| Molecular Formula | C14H17N5O3S |
|---|---|
| Molecular Weight | 335.11 g/mol |
| LogP | 0.4303 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 335.10522 |
| Heavy Atoms | 23 |
| Complexity | 674.3072 |
Chemical Identifiers
| CAS Number | 586983-34-8 |
|---|---|
| SMILES | CCOC(=O)CNC(=O)CSC1=NN=C(N1N)C2=CC=CC=C2 |
Product Overview
Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate (CAS 586983-34-8), with molecular formula C14H17N5O3S and molecular weight 335.11 g/mol. IUPAC: ethyl 2-[[2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]acetate.
Chemical Property Profile of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate
Property Insights of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate
The XLogP value of 0.4303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate. Following Lipinski's Rule of Five, Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate has 2 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 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate?
The CAS number of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate is 586983-34-8.
What is the molecular formula of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate?
The molecular formula of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate is C14H17N5O3S.
What is the molecular weight of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate?
The molecular weight of Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate is 335.11 g/mol.
Where can I buy Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate?
You can request a quote for Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]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-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[2-(4-amino-5-phenyl-1,2,4-triazol-3-ylthio)acetylamino]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.