4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
TL;DR: 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 24476-55-9) is a chemical compound with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
Also Known As: 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile, ISOPROPYLSALICYLATE, 1-[(4-methylphenyl)sulfonyl]-4-phenylpiperidine-4-carbonitrile, 1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile, 4-phenyl-1- piperidine-4-carbonitrile
| Molecular Formula | C19H20N2O2S |
|---|---|
| Molecular Weight | 340.12 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 69.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.12454 |
| Heavy Atoms | 24 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 24476-55-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=CC=C3 |
| InChIKey | RQTVIKMRXYJTDX-UHFFFAOYSA-N |
Product Overview
4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 24476-55-9), with molecular formula C19H20N2O2S and molecular weight 340.12 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile.
Chemical Property Profile of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
Property Insights of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
The XLogP value of 3.1 indicates that 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile. Following Lipinski's Rule of Five, 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile 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-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The CAS number of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 24476-55-9.
What is the molecular formula of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular formula of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is C19H20N2O2S.
What is the molecular weight of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular weight of 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 340.12 g/mol.
Where can I buy 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
You can request a quote for 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.