4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
TL;DR: 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 42138-31-8) is a chemical compound with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbonitrile
Also Known As: EINECS 255-678-2, 4-1- piperidine-4-carbonitrile, 4- -1- piperidine-4-carbonitrile, 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile, 4-(4-chlorophenyl)-1-(p-tolylsulfonyl)piperidine-4-carbonitrile
| Molecular Formula | C19H19ClN2O2S |
|---|---|
| Molecular Weight | 374.09 g/mol |
| LogP | 3.8945 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.08557 |
| Heavy Atoms | 25 |
| Complexity | 891.9354 |
Chemical Identifiers
| CAS Number | 42138-31-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)(C#N)C3=CC=C(C=C3)Cl |
Product Overview
4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile (CAS 42138-31-8), with molecular formula C19H19ClN2O2S and molecular weight 374.09 g/mol. IUPAC: 4-(4-chlorophenyl)-1-(4-methylphenyl)sulfonylpiperidine-4-carbonitrile.
Chemical Property Profile of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
Property Insights of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
The XLogP value of 3.8945 indicates that 4-(4-Chlorophenyl)-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 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-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 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The CAS number of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 42138-31-8.
What is the molecular formula of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular formula of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is C19H19ClN2O2S.
What is the molecular weight of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
The molecular weight of 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile is 374.09 g/mol.
Where can I buy 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
You can request a quote for 4-(4-Chlorophenyl)-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-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-1-(p-tolylsulphonyl)piperidine-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.