2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391886-33-2) is a chemical compound with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 2-Fluoro-N-(5-mercapto-4-phenyl-4H-[1,2,4]triazol-3-ylmethyl)-benzamide, 2-fluoro-N-[(4-phenyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)methyl]benzamide, F0334-5370, 2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C16H13FN4OS |
|---|---|
| Molecular Weight | 328.08 g/mol |
| LogP | 2.99899 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 328.0794 |
| Heavy Atoms | 23 |
| Complexity | 888.3508 |
Chemical Identifiers
| CAS Number | 391886-33-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NNC2=S)CNC(=O)C3=CC=CC=C3F |
Product Overview
2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391886-33-2), with molecular formula C16H13FN4OS and molecular weight 328.08 g/mol. IUPAC: 2-fluoro-N-[(4-phenyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 2.99899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)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-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 391886-33-2.
What is the molecular formula of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C16H13FN4OS.
What is the molecular weight of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 328.08 g/mol.
Where can I buy 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)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-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoro-N-((5-mercapto-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.