![2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide structure](/static/products/896/896838-79-2.png)
2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide
TL;DR: 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide (CAS 896838-79-2) is a chemical compound with molecular formula C27H27ClN4OS and molecular weight 490.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((5-(3-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-butan-2-ylphenyl)-2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(butan-2-yl)phenyl]-2-{[5-(3-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C27H27ClN4OS |
|---|---|
| Molecular Weight | 490.16 g/mol |
| LogP | 7.14042 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.15942 |
| Heavy Atoms | 34 |
| Complexity | 1268.797 |
Chemical Identifiers
| CAS Number | 896838-79-2 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC(=CC=C4)Cl |
Product Overview
2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide (CAS 896838-79-2), with molecular formula C27H27ClN4OS and molecular weight 490.16 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[[5-(3-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide
Property Insights of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide
The XLogP value of 7.14042 indicates that 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]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-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]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-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide?
The CAS number of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide is 896838-79-2.
What is the molecular formula of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide?
The molecular formula of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide is C27H27ClN4OS.
What is the molecular weight of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide?
The molecular weight of 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide is 490.16 g/mol.
Where can I buy 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide?
You can request a quote for 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]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-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[5-(3-chlorophenyl)-4-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-[4-(methyl propyl)phenyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.