2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
TL;DR: 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CAS 898156-57-5) is a chemical compound with molecular formula C15H20N2OS and molecular weight 276.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
Also Known As: 1-allyl-4-[(phenylthio)acetyl]piperazine, 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone, 2-phenylthio-1-(4-prop-2-enylpiperazinyl)ethan-1-one, 1-(4-ALLYLPIPERAZINO)-2-(PHENYLSULFANYL)-1-ETHANONE, 2-(phenylsulfanyl)-1-[4-(prop-2-en-1-yl)piperazin-1-yl]ethanone
| Molecular Formula | C15H20N2OS |
|---|---|
| Molecular Weight | 276.13 g/mol |
| LogP | 2.1089 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 276.12964 |
| Heavy Atoms | 19 |
| Complexity | 413.41357 |
Chemical Identifiers
| CAS Number | 898156-57-5 |
|---|---|
| SMILES | C=CCN1CCN(CC1)C(=O)CSC2=CC=CC=C2 |
Product Overview
2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone (CAS 898156-57-5), with molecular formula C15H20N2OS and molecular weight 276.13 g/mol. IUPAC: 2-phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone.
Chemical Property Profile of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
Property Insights of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone
The XLogP value of 2.1089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone. With a topological polar surface area (TPSA) of 23.55 Ų, 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-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-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The CAS number of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is 898156-57-5.
What is the molecular formula of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The molecular formula of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is C15H20N2OS.
What is the molecular weight of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
The molecular weight of 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone is 276.13 g/mol.
Where can I buy 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
You can request a quote for 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-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-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylsulfanyl-1-(4-prop-2-enylpiperazin-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.