4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine
TL;DR: 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine (CAS 22940-55-2) is a chemical compound with molecular formula C20H23NO3S and molecular weight 357.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-methylphenyl)sulfonyl-3-phenylpiperidin-3-yl]ethanone
Also Known As: 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine, 2,2-Dimethyl-bicyclo<3.2.1>oct-6-en-3-on, 1-[1-(4-methylphenyl)sulfonyl-3-phenylpiperidin-3-yl]ethanone, 1-{1-[(4-methylphenyl)sulfonyl]-3-phenylpiperidin-3-yl}ethanone, 1-[1-(4-Methylbenzene-1-sulfonyl)-3-phenylpiperidin-3-yl]ethan-1-one
| Molecular Formula | C20H23NO3S |
|---|---|
| Molecular Weight | 357.14 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 357.13986 |
| Heavy Atoms | 25 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 22940-55-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)(C3=CC=CC=C3)C(=O)C |
| InChIKey | NLCBHXPETNNAGX-UHFFFAOYSA-N |
Product Overview
4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine (CAS 22940-55-2), with molecular formula C20H23NO3S and molecular weight 357.14 g/mol. IUPAC: 1-[1-(4-methylphenyl)sulfonyl-3-phenylpiperidin-3-yl]ethanone.
Chemical Property Profile of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine
Property Insights of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine
The XLogP value of 3.1 indicates that 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine. Following Lipinski's Rule of Five, 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine has 0 hydrogen bond donor(s) and 4 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 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine?
The CAS number of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine is 22940-55-2.
What is the molecular formula of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine?
The molecular formula of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine is C20H23NO3S.
What is the molecular weight of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine?
The molecular weight of 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine is 357.14 g/mol.
Where can I buy 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine?
You can request a quote for 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.