1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone
TL;DR: 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone (CAS 852698-79-4) is a chemical compound with molecular formula C21H20FN3OS and molecular weight 381.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone
Also Known As: VU0509438-1, VU0509438-2, F3116-0016, 1-(4-(4-fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone, 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(quinolin-2-ylsulfanyl)ethan-1-one
| Molecular Formula | C21H20FN3OS |
|---|---|
| Molecular Weight | 381.13 g/mol |
| LogP | 3.8148 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1311 |
| Heavy Atoms | 27 |
| Complexity | 939.5694 |
Chemical Identifiers
| CAS Number | 852698-79-4 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4C=C3 |
Product Overview
1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone (CAS 852698-79-4), with molecular formula C21H20FN3OS and molecular weight 381.13 g/mol. IUPAC: 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-quinolin-2-ylsulfanylethanone.
Chemical Property Profile of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone
Property Insights of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone
The XLogP value of 3.8148 indicates that 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.44 Ų, 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone has 0 hydrogen bond donor(s) and 4 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-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone?
The CAS number of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone is 852698-79-4.
What is the molecular formula of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone?
The molecular formula of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone is C21H20FN3OS.
What is the molecular weight of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone?
The molecular weight of 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone is 381.13 g/mol.
Where can I buy 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone?
You can request a quote for 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)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-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(4-Fluorophenyl)piperazin-1-yl)-2-(quinolin-2-ylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.