2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide
TL;DR: 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide (CAS 335215-71-9) is a chemical compound with molecular formula C23H17N5O3S and molecular weight 443.11 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-nitrophenyl)acetamide
Also Known As: BAS 01377442, 2-((5,6-Diphenyl-1,2,4-triazin-3-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)thio]-N-(4-nitrophenyl)acetamide, 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide, 2-(5,6-Diphenyl-[1,2,4]triazin-3-ylsulfanyl)-N-(4-nitro-phenyl)-acetamide
| Molecular Formula | C23H17N5O3S |
|---|---|
| Molecular Weight | 443.11 g/mol |
| LogP | 4.8446 |
| Topological Polar Surface Area | 110.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.10522 |
| Heavy Atoms | 32 |
| Complexity | 1235.7313 |
Chemical Identifiers
| CAS Number | 335215-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4 |
Product Overview
2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide (CAS 335215-71-9), with molecular formula C23H17N5O3S and molecular weight 443.11 g/mol. IUPAC: 2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide
Property Insights of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide
The XLogP value of 4.8446 indicates that 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.91 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-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 7 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 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide is 335215-71-9.
What is the molecular formula of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide is C23H17N5O3S.
What is the molecular weight of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide is 443.11 g/mol.
Where can I buy 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)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-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5,6-Diphenyl-1,2,4-triazin-3-YL)thio)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.