2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
TL;DR: 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 332907-30-9) is a chemical compound with molecular formula C23H19ClN4OS and molecular weight 434.10 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-(4-chlorophenyl)acetamide
Also Known As: 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide, BAS 01556342, 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide, 2-[(5-benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide, 2-(5-Benzyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-chloro-phenyl)-acetamide
| Molecular Formula | C23H19ClN4OS |
|---|---|
| Molecular Weight | 434.10 g/mol |
| LogP | 5.2423 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.0968 |
| Heavy Atoms | 30 |
| Complexity | 1115.1754 |
Chemical Identifiers
| CAS Number | 332907-30-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=C(C=C4)Cl |
Product Overview
2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide (CAS 332907-30-9), with molecular formula C23H19ClN4OS and molecular weight 434.10 g/mol. IUPAC: 2-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chlorophenyl)acetamide.
Chemical Property Profile of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
Property Insights of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide
The XLogP value of 5.2423 indicates that 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)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-(4-chlorophenyl)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-(4-chlorophenyl)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-(4-chlorophenyl)acetamide?
The CAS number of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 332907-30-9.
What is the molecular formula of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular formula of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is C23H19ClN4OS.
What is the molecular weight of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
The molecular weight of 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide is 434.10 g/mol.
Where can I buy 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide?
You can request a quote for 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)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-(4-chlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Benzyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-chlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.