4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 1024445-81-5) is a chemical compound with molecular formula C11H11FN4OS and molecular weight 266.06375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-fluoro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-fluoro-N-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide, 4-Fluoro-N-(5-mercapto-4-methyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide
Technical Specifications
| Molecular Formula | C11H11FN4OS |
| Molecular Weight | 266.06375 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 88.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.06375 Da |
| Heavy Atoms | 18 |
| Complexity | 379.0 |
| SMILES | CN1C(=NNC1=S)CNC(=O)C2=CC=C(C=C2)F |
| InChIKey | QVRWIOPFAVSLOI-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. The TPSA of 88.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 1024445-81-5.
What is the molecular formula of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C11H11FN4OS.
What is the molecular weight of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 266.06375 g/mol.
Where can I buy 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, CoreyChem provides custom synthesis services for 4-Fluoro-N-((5-mercapto-4-methyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.