![N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/896/896076-92-9.png)
N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896076-92-9) is a chemical compound with molecular formula C21H18N6OS and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(m-tolyl)acetamide, N-(3-methylphenyl)-2-(4-phenyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))acetamid e, N-(3-methylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H18N6OS |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.76352 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.12628 |
| Heavy Atoms | 29 |
| Complexity | 1114.4966 |
Chemical Identifiers
| CAS Number | 896076-92-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=NC=CN=C4 |
Product Overview
N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896076-92-9), with molecular formula C21H18N6OS and molecular weight 402.13 g/mol. IUPAC: N-(3-methylphenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.76352 indicates that N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 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 N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 896076-92-9.
What is the molecular formula of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C21H18N6OS.
What is the molecular weight of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 402.13 g/mol.
Where can I buy N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3-methylphenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.