![2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide structure](/static/products/792/792944-42-4.png)
2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
TL;DR: 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide (CAS 792944-42-4) 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-fluoro-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide
Also Known As: BB 0217395, 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide, 2-fluoro-N-[2-(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]benzamide, 2-fluoro-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide, 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2, 4]triazol-3-yl)-ethyl]-benzamide
| Molecular Formula | C12H13FN4OS |
|---|---|
| Molecular Weight | 280.08 g/mol |
| LogP | 1.58929 |
| 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 | 792944-42-4 |
|---|---|
| SMILES | CN1C(=NNC1=S)CCNC(=O)C2=CC=CC=C2F |
Product Overview
2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide (CAS 792944-42-4), with molecular formula C12H13FN4OS and molecular weight 280.08 g/mol. IUPAC: 2-fluoro-N-[2-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]benzamide.
Chemical Property Profile of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
Property Insights of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide
The XLogP value of 1.58929 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide. Following Lipinski's Rule of Five, 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide 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-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The CAS number of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is 792944-42-4.
What is the molecular formula of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The molecular formula of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is C12H13FN4OS.
What is the molecular weight of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
The molecular weight of 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide is 280.08 g/mol.
Where can I buy 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
You can request a quote for 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-N-[2-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-yl)-ethyl]-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.