![2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide structure](/static/products/792/792944-58-2.png)
2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide
TL;DR: 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide (CAS 792944-58-2) is a chemical compound with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)acetamide
Also Known As: BB 0217389, 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide, 2-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)acetamide, 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)- N-(2-fluoro-phenyl)-acetamide, 2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)acetamide
| Molecular Formula | C12H13FN4OS |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 2.28089 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.0794 |
| Heavy Atoms | 19 |
| Complexity | 649.1741 |
Chemical Identifiers
| CAS Number | 792944-58-2 |
|---|---|
| SMILES | CCN1C(=NNC1=S)CC(=O)NC2=CC=CC=C2F |
Product Overview
2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide (CAS 792944-58-2), with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol. IUPAC: 2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide
Property Insights of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide
The XLogP value of 2.28089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide. Following Lipinski's Rule of Five, 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide has 2 hydrogen bond donor(s) and 3 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 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide?
The CAS number of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide is 792944-58-2.
What is the molecular formula of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide?
The molecular formula of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide is C12H13FN4OS.
What is the molecular weight of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide?
The molecular weight of 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide is 280.08 g/mol.
Where can I buy 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide?
You can request a quote for 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethyl-5-mercapto-4H-[1,2,4]triazol-3-yl)-N-(2-fluoro-phenyl)-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.