![N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide structure](/static/products/7082/708281-41-8.webp)
N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
TL;DR: N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide (CAS 708281-41-8) is a chemical compound with molecular formula C23H18ClFN4OS and molecular weight 452.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide, N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide, N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-fluoro-benzamide
| Molecular Formula | C23H18ClFN4OS |
|---|---|
| Molecular Weight | 452.09 g/mol |
| LogP | 5.2821 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 452.0874 |
| Heavy Atoms | 31 |
| Complexity | 1199.173 |
Chemical Identifiers
| CAS Number | 708281-41-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3Cl)CNC(=O)C4=CC=CC=C4F |
Product Overview
N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide (CAS 708281-41-8), with molecular formula C23H18ClFN4OS and molecular weight 452.09 g/mol. IUPAC: N-[[5-[(2-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
Property Insights of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
The XLogP value of 5.2821 indicates that N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide 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-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The CAS number of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is 708281-41-8.
What is the molecular formula of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The molecular formula of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is C23H18ClFN4OS.
What is the molecular weight of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The molecular weight of N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is 452.09 g/mol.
Where can I buy N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
You can request a quote for N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({5-[(2-chlorobenzyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.