2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
TL;DR: 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide (CAS 309741-53-5) is a chemical compound with molecular formula C23H17FN4OS and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Also Known As: ChemDiv1_023467, BAS 02915404, 2-((5,6-Diphenyl-1,2,4-triazin-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide, 2-(5,6-Diphenyl-[1,2,4]triazin-3-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide
| Molecular Formula | C23H17FN4OS |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | 5.0755 |
| Topological Polar Surface Area | 67.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 1138.9735 |
Chemical Identifiers
| CAS Number | 309741-53-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)F)C4=CC=CC=C4 |
Product Overview
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide (CAS 309741-53-5), with molecular formula C23H17FN4OS and molecular weight 416.11 g/mol. IUPAC: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-fluorophenyl)acetamide.
Chemical Property Profile of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
Property Insights of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide
The XLogP value of 5.0755 indicates that 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide?
The CAS number of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide is 309741-53-5.
What is the molecular formula of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide?
The molecular formula of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide is C23H17FN4OS.
What is the molecular weight of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide?
The molecular weight of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide is 416.11 g/mol.
Where can I buy 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide?
You can request a quote for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.