1-Acetyl-3-(piperidylsulfonyl)benzene
TL;DR: 1-Acetyl-3-(piperidylsulfonyl)benzene (CAS 879906-76-0) is a chemical compound with molecular formula C13H17NO3S and molecular weight 267.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-piperidin-1-ylsulfonylphenyl)ethanone
Also Known As: 1-acetyl-3-(piperidylsulfonyl)benzene, 1-(3-(Piperidin-1-ylsulfonyl)phenyl)ethan-1-one, 1-(3-piperidin-1-ylsulfonylphenyl)ethanone, 1-[3-(1-piperidylsulfonyl)phenyl]ethanone, 1-[3-(piperidin-1-ylsulfonyl)phenyl]ethanone
| Molecular Formula | C13H17NO3S |
|---|---|
| Molecular Weight | 267.09 g/mol |
| LogP | 2.0638 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.09293 |
| Heavy Atoms | 18 |
| Complexity | 545.10974 |
Chemical Identifiers
| CAS Number | 879906-76-0 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCCCC2 |
Product Overview
1-Acetyl-3-(piperidylsulfonyl)benzene (CAS 879906-76-0), with molecular formula C13H17NO3S and molecular weight 267.09 g/mol. IUPAC: 1-(3-piperidin-1-ylsulfonylphenyl)ethanone.
Chemical Property Profile of 1-Acetyl-3-(piperidylsulfonyl)benzene
Property Insights of 1-Acetyl-3-(piperidylsulfonyl)benzene
The XLogP value of 2.0638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3-(piperidylsulfonyl)benzene. With a topological polar surface area (TPSA) of 54.45 Ų, 1-Acetyl-3-(piperidylsulfonyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3-(piperidylsulfonyl)benzene 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 1-Acetyl-3-(piperidylsulfonyl)benzene?
The CAS number of 1-Acetyl-3-(piperidylsulfonyl)benzene is 879906-76-0.
What is the molecular formula of 1-Acetyl-3-(piperidylsulfonyl)benzene?
The molecular formula of 1-Acetyl-3-(piperidylsulfonyl)benzene is C13H17NO3S.
What is the molecular weight of 1-Acetyl-3-(piperidylsulfonyl)benzene?
The molecular weight of 1-Acetyl-3-(piperidylsulfonyl)benzene is 267.09 g/mol.
Where can I buy 1-Acetyl-3-(piperidylsulfonyl)benzene?
You can request a quote for 1-Acetyl-3-(piperidylsulfonyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3-(piperidylsulfonyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3-(piperidylsulfonyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.