![2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide structure](/static/products/849/849033-68-7.png)
2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide
TL;DR: 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide (CAS 849033-68-7) is a chemical compound with molecular formula C20H23N5OS and molecular weight 381.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide, N-(4-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide, N-(4-(sec-butyl)phenyl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-(butan-2-yl)phenyl]-2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H23N5OS |
|---|---|
| Molecular Weight | 381.16 g/mol |
| LogP | 4.1214 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 381.16232 |
| Heavy Atoms | 27 |
| Complexity | 892.49536 |
Chemical Identifiers
| CAS Number | 849033-68-7 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C)C3=CC=NC=C3 |
Product Overview
2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide (CAS 849033-68-7), with molecular formula C20H23N5OS and molecular weight 381.16 g/mol. IUPAC: N-(4-butan-2-ylphenyl)-2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide
Property Insights of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide
The XLogP value of 4.1214 indicates that 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide. Following Lipinski's Rule of Five, 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide has 1 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-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide?
The CAS number of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide is 849033-68-7.
What is the molecular formula of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide?
The molecular formula of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide is C20H23N5OS.
What is the molecular weight of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide?
The molecular weight of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide is 381.16 g/mol.
Where can I buy 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide?
You can request a quote for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-[4-(methylpropyl)phenyl]a cetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.