N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-75-9) 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.
N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: AB00430842-04, F0507-0133, N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C17H15FN4OS |
|---|---|
| Molecular Weight | 342.10 g/mol |
| LogP | 3.0583 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 342.09506 |
| Heavy Atoms | 24 |
| Complexity | 833.5567 |
Chemical Identifiers
| CAS Number | 391897-75-9 |
|---|---|
| SMILES | CSC1=NN=C(N1C2=CC=C(C=C2)F)CNC(=O)C3=CC=CC=C3 |
Product Overview
N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-75-9), with molecular formula C17H15FN4OS and molecular weight 342.10 g/mol. IUPAC: N-[[4-(4-fluorophenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 3.0583 indicates that N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide has 1 hydrogen bond donor(s) and 4 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 N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 391897-75-9.
What is the molecular formula of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is C17H15FN4OS.
What is the molecular weight of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 342.10 g/mol.
Where can I buy N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for N-((4-(4-fluorophenyl)-5-(methylthio)-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 N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(4-fluorophenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.