2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide
TL;DR: 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide (CAS 332114-87-1) is a chemical compound with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide
Also Known As: BAS 01128271, 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide, 2-[5-(4-Bromo-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-o-tolyl-acetamide, 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide, 2-{[3-(4-bromophenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-N-(2-methylphenyl)acetamide
| Molecular Formula | C17H15BrN4OS |
|---|---|
| Molecular Weight | 402.01 g/mol |
| LogP | 4.27342 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.01498 |
| Heavy Atoms | 24 |
| Complexity | 847.8067 |
Chemical Identifiers
| CAS Number | 332114-87-1 |
|---|---|
| SMILES | CC1=CC=CC=C1NC(=O)CSC2=NNC(=N2)C3=CC=C(C=C3)Br |
Product Overview
2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide (CAS 332114-87-1), with molecular formula C17H15BrN4OS and molecular weight 402.01 g/mol. IUPAC: 2-[[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-methylphenyl)acetamide.
Chemical Property Profile of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide
Property Insights of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide
The XLogP value of 4.27342 indicates that 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide has 2 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 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide?
The CAS number of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide is 332114-87-1.
What is the molecular formula of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide?
The molecular formula of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide is C17H15BrN4OS.
What is the molecular weight of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide?
The molecular weight of 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide is 402.01 g/mol.
Where can I buy 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide?
You can request a quote for 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Bromophenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(o-tolyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.