3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
TL;DR: 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 83863-65-4) is a chemical compound with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile
Also Known As: EINECS 281-130-7, 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile, 25K-6000, 3-methyl-4-phenyl-1-tosylpiperidine-4-carbonitrile, 3-methyl-4-phenyl-1-(p-tolylsulfonyl)piperidine-4-carbonitrile
| Molecular Formula | C20H22N2O2S |
|---|---|
| Molecular Weight | 354.14 g/mol |
| LogP | 3.4871 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.1402 |
| Heavy Atoms | 25 |
| Complexity | 885.54346 |
Chemical Identifiers
| CAS Number | 83863-65-4 |
|---|---|
| SMILES | CC1CN(CCC1(C#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)C |
Product Overview
3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 83863-65-4), with molecular formula C20H22N2O2S and molecular weight 354.14 g/mol. IUPAC: 3-methyl-1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carbonitrile.
Chemical Property Profile of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
Property Insights of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
The XLogP value of 3.4871 indicates that 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile 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 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The CAS number of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 83863-65-4.
What is the molecular formula of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular formula of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is C20H22N2O2S.
What is the molecular weight of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular weight of 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 354.14 g/mol.
Where can I buy 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
You can request a quote for 3-Methyl-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 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.