2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
TL;DR: 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (CAS 358392-93-5) is a chemical compound with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
Also Known As: BAS 01932529, 2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone, 2-(4-chlorophenylthio)-1-(4-methylpiperazinyl)ethan-1-one, 2-(4-Chloro-phenylsulfanyl)-1-(4-methyl-piperazin-1-yl)-ethanone, 2-[(4-chlorophenyl)sulfanyl]-1-(4-methylpiperazin-1-yl)ethanone
| Molecular Formula | C13H17ClN2OS |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.075 |
| Heavy Atoms | 18 |
| Complexity | 274.0 |
Chemical Identifiers
| CAS Number | 358392-93-5 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)CSC2=CC=C(C=C2)Cl |
| InChIKey | KUAZQHGYNOLSOM-UHFFFAOYSA-N |
Product Overview
2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone (CAS 358392-93-5), with molecular formula C13H17ClN2OS and molecular weight 284.07 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
Property Insights of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 48.9 Ų, 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone has 0 hydrogen bond donor(s) and 3 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 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The CAS number of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is 358392-93-5.
What is the molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The molecular formula of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is C13H17ClN2OS.
What is the molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
The molecular weight of 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone is 284.07 g/mol.
Where can I buy 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
You can request a quote for 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Chlorophenyl)sulfanyl-1-(4-methylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.