![1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone structure](/static/products/7082/708291-76-3.webp)
1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
TL;DR: 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 708291-76-3) is a chemical compound with molecular formula C26H26N6OS and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Also Known As: 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone, 1-(4-benzylpiperazin-1-yl)-2-{[4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-BENZYLPIPERAZIN-1-YL)-2-{[4-PHENYL-5-(PYRIDIN-4-YL)-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
| Molecular Formula | C26H26N6OS |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 3.7658 |
| Topological Polar Surface Area | 67.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 470.18887 |
| Heavy Atoms | 34 |
| Complexity | 1208.0514 |
Chemical Identifiers
| CAS Number | 708291-76-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=NC=C5 |
Product Overview
1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone (CAS 708291-76-3), with molecular formula C26H26N6OS and molecular weight 470.19 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
Property Insights of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone
The XLogP value of 3.7658 indicates that 1-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The CAS number of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 708291-76-3.
What is the molecular formula of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular formula of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is C26H26N6OS.
What is the molecular weight of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone?
The molecular weight of 1-(4-benzylpiperazin-1-yl)-2-[(4-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone is 470.19 g/mol.
Where can I buy 1-(4-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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-benzylpiperazin-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.