![3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/3918/391886-46-7.webp)
3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 391886-46-7) is a chemical compound with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide, F0475-0048, 3-fluoro-N-((5-thioxo-4-(m-tolyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl)methyl)benzamide, 3-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C17H15FN4OS |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.30741 |
| Topological Polar Surface Area | 62.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 342.09506 |
| Heavy Atoms | 24 |
| Complexity | 947.5137 |
Chemical Identifiers
| CAS Number | 391886-46-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=NNC2=S)CNC(=O)C3=CC(=CC=C3)F |
Product Overview
3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 391886-46-7), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: 3-fluoro-N-[[4-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 3.30741 indicates that 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-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 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 391886-46-7.
What is the molecular formula of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is C17H15FN4OS.
What is the molecular weight of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide is 342.10 g/mol.
Where can I buy 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-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 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-fluoro-N-{[4-(3-methylphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.