![2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide structure](/static/products/7377/737774-63-9.webp)
2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide
TL;DR: 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide (CAS 737774-63-9) is a chemical compound with molecular formula C11H11FN4OS and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: BAS 08858334, BB 0217384, 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide, 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]tr iazol-3-ylmethyl)-benzamide, 2-fluoro-N-[(4-methyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C11H11FN4OS |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 1.54679 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.06375 |
| Heavy Atoms | 18 |
| Complexity | 633.9686 |
Chemical Identifiers
| CAS Number | 737774-63-9 |
|---|---|
| SMILES | CN1C(=NNC1=S)CNC(=O)C2=CC=CC=C2F |
Product Overview
2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide (CAS 737774-63-9), with molecular formula C11H11FN4OS and molecular weight 266.06 g/mol. IUPAC: 2-fluoro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide
Property Insights of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide
The XLogP value of 1.54679 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide. Following Lipinski's Rule of Five, 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-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-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide?
The CAS number of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide is 737774-63-9.
What is the molecular formula of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide?
The molecular formula of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide is C11H11FN4OS.
What is the molecular weight of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide?
The molecular weight of 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide is 266.06 g/mol.
Where can I buy 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide?
You can request a quote for 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-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-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.