![1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/7012/701225-01-6.webp)
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 701225-01-6) is a chemical compound with molecular formula C25H23ClN6OS and molecular weight 490.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-chlorophenyl)-4-({[4-phenyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetyl)piperazine, 1-[4-(4-CHLOROPHENYL)PIPERAZIN-1-YL]-2-{[4-PHENYL-5-(PYRIDIN-4-YL)-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
| Molecular Formula | C25H23ClN6OS |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 4.4236 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 490.13425 |
| Heavy Atoms | 34 |
| Complexity | 1241.6631 |
Chemical Identifiers
| CAS Number | 701225-01-6 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)Cl)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5 |
Product Overview
1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 701225-01-6), with molecular formula C25H23ClN6OS and molecular weight 490.13 g/mol. IUPAC: 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 4.4236 indicates that 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone. Following Lipinski's Rule of Five, 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]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-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 701225-01-6.
What is the molecular formula of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C25H23ClN6OS.
What is the molecular weight of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 490.13 g/mol.
Where can I buy 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
You can request a quote for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(4-chlorophenyl)piperazin-1-yl]-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.