![Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate structure](/static/products/6802/680216-57-3.webp)
Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate
TL;DR: Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 680216-57-3) is a chemical compound with molecular formula C12H12Cl2N4O2S and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[5-(2,6-dichloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate, ethyl 2-[[5-(2,6-dichloropyridin-4-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate, Ethyl 2-{[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate, Ethyl 2-([5-(2,6-dichloro-4-pyridyl)-4-methyl-4H-1,2,4-triazol-3-yl]thio)acetate, ethyl 2-[[5-(2,6-dichloro-4-pyridyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C12H12Cl2N4O2S |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | 2.8391 |
| Topological Polar Surface Area | 69.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.0058 |
| Heavy Atoms | 21 |
| Complexity | 642.45215 |
Chemical Identifiers
| CAS Number | 680216-57-3 |
|---|---|
| SMILES | CCOC(=O)CSC1=NN=C(N1C)C2=CC(=NC(=C2)Cl)Cl |
Product Overview
Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate (CAS 680216-57-3), with molecular formula C12H12Cl2N4O2S and molecular weight 346.01 g/mol. IUPAC: ethyl 2-[[5-(2,6-dichloro-4-pyridinyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate
Property Insights of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate
The XLogP value of 2.8391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate. The TPSA of 69.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate. Following Lipinski's Rule of Five, Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}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 {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate?
The CAS number of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate is 680216-57-3.
What is the molecular formula of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular formula of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate is C12H12Cl2N4O2S.
What is the molecular weight of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate?
The molecular weight of Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate is 346.01 g/mol.
Where can I buy Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate?
You can request a quote for Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {[5-(2,6-dichloropyridin-4-yl)-4-methyl-4H-1,2,4-triazol-3-yl]thio}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.