1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 896808-22-3) is a chemical compound with molecular formula C20H14ClN5OS and molecular weight 407.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(2-chlorophenyl)-2-(4-phenyl-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio))ethan-1- one, 1-(2-chlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(2-chlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(2-chlorophenyl)-2-{[4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C20H14ClN5OS |
|---|---|
| Molecular Weight | 407.06 g/mol |
| LogP | 4.3527 |
| Topological Polar Surface Area | 73.56 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.06076 |
| Heavy Atoms | 28 |
| Complexity | 1102.0563 |
Chemical Identifiers
| CAS Number | 896808-22-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Cl)C4=NC=CN=C4 |
Product Overview
1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 896808-22-3), with molecular formula C20H14ClN5OS and molecular weight 407.06 g/mol. IUPAC: 1-(2-chlorophenyl)-2-[(4-phenyl-5-pyrazin-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 4.3527 indicates that 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.56 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone has 0 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 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 896808-22-3.
What is the molecular formula of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C20H14ClN5OS.
What is the molecular weight of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 407.06 g/mol.
Where can I buy 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-chlorophenyl)-2-((4-phenyl-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.