![N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/896/896836-76-3.png)
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896836-76-3) is a chemical compound with molecular formula C22H16ClF3N6OS and molecular weight 504.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(2-chloro-5-(trifluoromethyl)phenyl)-2-((5-(pyrazin-2-yl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(4-methylphenyl)-5-pyrazin-2-yl(1, 2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C22H16ClF3N6OS |
|---|---|
| Molecular Weight | 504.07 g/mol |
| LogP | 5.43572 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.0747 |
| Heavy Atoms | 34 |
| Complexity | 1312.722 |
Chemical Identifiers
| CAS Number | 896836-76-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl)C4=NC=CN=C4 |
Product Overview
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896836-76-3), with molecular formula C22H16ClF3N6OS and molecular weight 504.07 g/mol. IUPAC: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[[4-(4-methylphenyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 5.43572 indicates that N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-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), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 896836-76-3.
What is the molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C22H16ClF3N6OS.
What is the molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 504.07 g/mol.
Where can I buy N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-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-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methylphenyl)-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.