Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate
TL;DR: Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 899012-64-7) is a chemical compound with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate, ethyl 2-((4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)acetate, ethyl 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate, ethyl {[4-methyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate, ETHYL 2-{[4-METHYL-5-(2-PYRIDYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETATE
| Molecular Formula | C12H14N4O2S |
|---|---|
| Molecular Weight | 278.08 g/mol |
| LogP | 1.5323 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.08374 |
| Heavy Atoms | 19 |
| Complexity | 556.11194 |
Chemical Identifiers
| CAS Number | 899012-64-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CC=CC=N2 |
Product Overview
Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate (CAS 899012-64-7), with molecular formula C12H14N4O2S and molecular weight 278.08 g/mol. IUPAC: ethyl 2-[(4-methyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate
Property Insights of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate
The XLogP value of 1.5323 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-methyl-5-(2-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-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The CAS number of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 899012-64-7.
What is the molecular formula of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular formula of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate is C12H14N4O2S.
What is the molecular weight of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
The molecular weight of Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate is 278.08 g/mol.
Where can I buy Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
You can request a quote for Ethyl 2-(4-methyl-5-(2-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-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-methyl-5-(2-pyridyl)-1,2,4-triazol-3-ylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.