N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide
TL;DR: N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide (CAS 543721-33-1) is a chemical compound with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
Also Known As: N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide, N-(3-{5-[(2-fluorobenzyl)sulfanyl]-4-methyl-4H-1,2,4-triazol-3-yl}phenyl)acetamide, N-[3-[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide
| Molecular Formula | C18H17FN4OS |
|---|---|
| Molecular Weight | 356.11 g/mol |
| LogP | 3.8719 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.11072 |
| Heavy Atoms | 25 |
| Complexity | 909.5967 |
Chemical Identifiers
| CAS Number | 543721-33-1 |
|---|---|
| SMILES | CC(=O)NC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=CC=C3F |
Product Overview
N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide (CAS 543721-33-1), with molecular formula C18H17FN4OS and molecular weight 356.11 g/mol. IUPAC: N-[3-[5-[(2-fluorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]phenyl]acetamide.
Chemical Property Profile of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide
Property Insights of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide
The XLogP value of 3.8719 indicates that N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide 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-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide 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-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide?
The CAS number of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide is 543721-33-1.
What is the molecular formula of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide?
The molecular formula of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide is C18H17FN4OS.
What is the molecular weight of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide?
The molecular weight of N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide is 356.11 g/mol.
Where can I buy N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide?
You can request a quote for N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-(5-((2-fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.