2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide
TL;DR: 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide (CAS 338425-48-2) is a chemical compound with molecular formula C22H19N5OS and molecular weight 401.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide
Also Known As: BAS 02054449, 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide, 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide, 2-{[4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-phenylphenyl)acetamide, N-([1,1'-biphenyl]-2-yl)-2-((4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C22H19N5OS |
|---|---|
| Molecular Weight | 401.13 g/mol |
| LogP | 4.2749 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.13104 |
| Heavy Atoms | 29 |
| Complexity | 1112.528 |
Chemical Identifiers
| CAS Number | 338425-48-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C3=CC=CC=C3)C4=CC=NC=C4 |
Product Overview
2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide (CAS 338425-48-2), with molecular formula C22H19N5OS and molecular weight 401.13 g/mol. IUPAC: 2-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-phenylphenyl)acetamide.
Chemical Property Profile of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide
Property Insights of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide
The XLogP value of 4.2749 indicates that 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide 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-(2-phenylphenyl)acetamide. Following Lipinski's Rule of Five, 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide 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-(2-phenylphenyl)acetamide?
The CAS number of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide is 338425-48-2.
What is the molecular formula of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide?
The molecular formula of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide is C22H19N5OS.
What is the molecular weight of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide?
The molecular weight of 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide is 401.13 g/mol.
Where can I buy 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide?
You can request a quote for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide 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-(2-phenylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-methyl-5-(4-pyridyl)(1,2,4-triazol-3-ylthio))-N-(2-phenylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.