![2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide structure](/static/products/5777/577765-87-8.webp)
2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide
TL;DR: 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide (CAS 577765-87-8) is a chemical compound with molecular formula C21H25N5OS and molecular weight 395.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide
Also Known As: 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide, 2-((4-amino-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-butylphenyl)acetamide, 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide, 2-{[4-amino-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-butylphenyl)acetamide
| Molecular Formula | C21H25N5OS |
|---|---|
| Molecular Weight | 395.18 g/mol |
| LogP | 4.04072 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 395.17798 |
| Heavy Atoms | 28 |
| Complexity | 918.97394 |
Chemical Identifiers
| CAS Number | 577765-87-8 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C |
Product Overview
2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide (CAS 577765-87-8), with molecular formula C21H25N5OS and molecular weight 395.18 g/mol. IUPAC: 2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-butylphenyl)acetamide.
Chemical Property Profile of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide
Property Insights of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide
The XLogP value of 4.04072 indicates that 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide. Following Lipinski's Rule of Five, 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide has 2 hydrogen bond donor(s) and 5 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-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide?
The CAS number of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide is 577765-87-8.
What is the molecular formula of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide?
The molecular formula of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide is C21H25N5OS.
What is the molecular weight of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide?
The molecular weight of 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide is 395.18 g/mol.
Where can I buy 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide?
You can request a quote for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-amino-5-(4-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-(4-butylphenyl)acetam ide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.