Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate
TL;DR: Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 332909-79-2) is a chemical compound with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: BAS 01816198, ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate, ethyl 2-{[4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, F1238-0007, ethyl 2-((4-phenyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetate
| Molecular Formula | C17H16N4O2S |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 340.0994 |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 332909-79-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C3=CN=CC=C3 |
| InChIKey | FNSJDGCEEKOGKK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 332909-79-2), with molecular formula C17H16N4O2S and molecular weight 340.10 g/mol. IUPAC: ethyl 2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate
Property Insights of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate has 0 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-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 332909-79-2.
What is the molecular formula of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate is C17H16N4O2S.
What is the molecular weight of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 340.10 g/mol.
Where can I buy Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)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-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-phenyl-5-(3-pyridyl)-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.