N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332872-86-3) is a chemical compound with molecular formula C22H23BrN4OS and molecular weight 470.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: BAS 01940030, N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(2-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(2-Bromo-phenyl)-2-(5-cyclohexyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetamide, N-(2-bromophenyl)-2-(5-cyclohexyl-4-phenyl(1,2,4-triazol-3-ylthio))acetamide
| Molecular Formula | C22H23BrN4OS |
|---|---|
| Molecular Weight | 470.08 g/mol |
| LogP | 5.8083 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.0776 |
| Heavy Atoms | 29 |
| Complexity | 969.9534 |
Chemical Identifiers
| CAS Number | 332872-86-3 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4Br |
Product Overview
N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 332872-86-3), with molecular formula C22H23BrN4OS and molecular weight 470.08 g/mol. IUPAC: N-(2-bromophenyl)-2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.8083 indicates that N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)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, N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)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 N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 332872-86-3.
What is the molecular formula of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C22H23BrN4OS.
What is the molecular weight of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 470.08 g/mol.
Where can I buy N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Bromophenyl)-2-((5-cyclohexyl-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.