![N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide structure](/static/products/7082/708215-77-4.webp)
N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
TL;DR: N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide (CAS 708215-77-4) is a chemical compound with molecular formula C18H16ClFN4OS and molecular weight 390.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide, N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide, N-({5-[(4-chlorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
| Molecular Formula | C18H16ClFN4OS |
|---|---|
| Molecular Weight | 390.07 g/mol |
| LogP | 3.8299 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.07175 |
| Heavy Atoms | 26 |
| Complexity | 913.8095 |
Chemical Identifiers
| CAS Number | 708215-77-4 |
|---|---|
| SMILES | CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CC=C3F |
Product Overview
N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide (CAS 708215-77-4), with molecular formula C18H16ClFN4OS and molecular weight 390.07 g/mol. IUPAC: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
Property Insights of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide
The XLogP value of 3.8299 indicates that N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-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-[(4-chlorobenzyl)sulfanyl]-4-methyl-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-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide 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-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The CAS number of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is 708215-77-4.
What is the molecular formula of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The molecular formula of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is C18H16ClFN4OS.
What is the molecular weight of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
The molecular weight of N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide is 390.07 g/mol.
Where can I buy N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
You can request a quote for N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-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-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-({5-[(4-chlorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}methyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.