1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one
TL;DR: 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one (CAS 712307-27-2) is a chemical compound with molecular formula C16H19N3OS and molecular weight 301.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylpiperazin-1-yl)-2-quinolin-8-ylsulfanylethanone
Also Known As: 1- -2- ethanone, 1-(4-METHYL PIPERAZIN-1-YL)-2-((QUINOLIN-8-YL)THIO)ETHANONE, 1-(4-Methylpiperazin-1-yl)-2-(quinolin-8-ylthio)ethanone, 1-(4-methylpiperazin-1-yl)-2-quinolin-8-ylsulfanylethanone, 1-(4-methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one
| Molecular Formula | C16H19N3OS |
|---|---|
| Molecular Weight | 301.12 g/mol |
| LogP | 2.1009 |
| Topological Polar Surface Area | 36.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.12488 |
| Heavy Atoms | 21 |
| Complexity | 632.9596 |
Chemical Identifiers
| CAS Number | 712307-27-2 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=CC=CC3=C2N=CC=C3 |
Product Overview
1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one (CAS 712307-27-2), with molecular formula C16H19N3OS and molecular weight 301.12 g/mol. IUPAC: 1-(4-methylpiperazin-1-yl)-2-quinolin-8-ylsulfanylethanone.
Chemical Property Profile of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one
Property Insights of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one
The XLogP value of 2.1009 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one. With a topological polar surface area (TPSA) of 36.44 Ų, 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one 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-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one?
The CAS number of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one is 712307-27-2.
What is the molecular formula of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one?
The molecular formula of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one is C16H19N3OS.
What is the molecular weight of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one?
The molecular weight of 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one is 301.12 g/mol.
Where can I buy 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one?
You can request a quote for 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylpiperazinyl)-2-(8-quinolylthio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.