1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone
TL;DR: 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone (CAS 358725-76-5) is a chemical compound with molecular formula C21H25NOS and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone
Also Known As: 1-(4-benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone, 1-(4-benzylpiperidin-1-yl)-2-[(4-methylphenyl)sulfanyl]ethan-1-one, 1-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone, 1-(4-benzylpiperidin-1-yl)-2-(p-tolylthio)ethan-1-one, F1016-0109
| Molecular Formula | C21H25NOS |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 4.56842 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 339.16568 |
| Heavy Atoms | 24 |
| Complexity | 645.29877 |
Chemical Identifiers
| CAS Number | 358725-76-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SCC(=O)N2CCC(CC2)CC3=CC=CC=C3 |
Product Overview
1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone (CAS 358725-76-5), with molecular formula C21H25NOS and molecular weight 339.17 g/mol. IUPAC: 1-(4-benzylpiperidin-1-yl)-2-(4-methylphenyl)sulfanylethanone.
Chemical Property Profile of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone
Property Insights of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone
The XLogP value of 4.56842 indicates that 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone has 0 hydrogen bond donor(s) and 2 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-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone?
The CAS number of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone is 358725-76-5.
What is the molecular formula of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone?
The molecular formula of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone is C21H25NOS.
What is the molecular weight of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone?
The molecular weight of 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone is 339.17 g/mol.
Where can I buy 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone?
You can request a quote for 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)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-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperidin-1-yl)-2-(p-tolylthio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.