(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
TL;DR: (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone (CAS 825596-59-6) is a chemical compound with molecular formula C13H17NOS and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylsulfanylphenyl)-piperidin-1-ylmethanone
Also Known As: 1-[2-(methylthio)benzoyl]piperidine, (2-methylsulfanylphenyl)-piperidin-1-ylmethanone, [2-(methylsulfanyl)phenyl](piperidin-1-yl)methanone
| Molecular Formula | C13H17NOS |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.0346 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.10309 |
| Heavy Atoms | 16 |
| Complexity | 371.9503 |
Chemical Identifiers
| CAS Number | 825596-59-6 |
|---|---|
| SMILES | CSC1=CC=CC=C1C(=O)N2CCCCC2 |
Product Overview
(2-Methylsulfanylphenyl)-piperidin-1-ylmethanone (CAS 825596-59-6), with molecular formula C13H17NOS and molecular weight 235.10 g/mol. IUPAC: (2-methylsulfanylphenyl)-piperidin-1-ylmethanone.
Chemical Property Profile of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
Property Insights of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone
The XLogP value of 3.0346 indicates that (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone 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 (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone?
The CAS number of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone is 825596-59-6.
What is the molecular formula of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone?
The molecular formula of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone is C13H17NOS.
What is the molecular weight of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone?
The molecular weight of (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone is 235.10 g/mol.
Where can I buy (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone?
You can request a quote for (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone?
Yes, KEHONG BIO provides custom synthesis services for (2-Methylsulfanylphenyl)-piperidin-1-ylmethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.