2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide
TL;DR: 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide (CAS 332912-85-3) is a chemical compound with molecular formula C27H28N4OS and molecular weight 456.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide
Also Known As: BAS 01842677, 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide, 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide, 2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(2,6-diethyl-phenyl)-acetamide, 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide
| Molecular Formula | C27H28N4OS |
|---|---|
| Molecular Weight | 456.20 g/mol |
| LogP | 5.7137 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 456.1984 |
| Heavy Atoms | 33 |
| Complexity | 1183.2906 |
Chemical Identifiers
| CAS Number | 332912-85-3 |
|---|---|
| SMILES | CCC1=C(C(=CC=C1)CC)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CC4=CC=CC=C4 |
Product Overview
2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide (CAS 332912-85-3), with molecular formula C27H28N4OS and molecular weight 456.20 g/mol. IUPAC: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2,6-diethylphenyl)acetamide.
Chemical Property Profile of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide
Property Insights of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide
The XLogP value of 5.7137 indicates that 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)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, 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide 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 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide?
The CAS number of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide is 332912-85-3.
What is the molecular formula of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide?
The molecular formula of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide is C27H28N4OS.
What is the molecular weight of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide?
The molecular weight of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide is 456.20 g/mol.
Where can I buy 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide?
You can request a quote for 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)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-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-diethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.