2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile
TL;DR: 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile (CAS 849457-76-7) is a chemical compound with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
Also Known As: 3-[4-(1-piperidyl)phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile, (E)-2-[(4-methylphenyl)sulfonyl]-3-(4-piperidinophenyl)-2-propenenitrile, 2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile, (2E)-2-(4-methylbenzenesulfonyl)-3-[4-(piperidin-1-yl)phenyl]prop-2-enenitrile, 2-((4-METHYLPHENYL)SULFONYL)-3-(4-PIPERIDYLPHENYL)PROP-2-ENENITRILE
| Molecular Formula | C21H22N2O2S |
|---|---|
| Molecular Weight | 366.14 g/mol |
| LogP | 4.3237 |
| Topological Polar Surface Area | 61.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 366.1402 |
| Heavy Atoms | 26 |
| Complexity | 931.00073 |
Chemical Identifiers
| CAS Number | 849457-76-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC=C(C=C2)N3CCCCC3)C#N |
Product Overview
2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile (CAS 849457-76-7), with molecular formula C21H22N2O2S and molecular weight 366.14 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile.
Chemical Property Profile of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile
Property Insights of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile
The XLogP value of 4.3237 indicates that 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile 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 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile 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 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile?
The CAS number of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile is 849457-76-7.
What is the molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile?
The molecular formula of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile is C21H22N2O2S.
What is the molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile?
The molecular weight of 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile is 366.14 g/mol.
Where can I buy 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile?
You can request a quote for 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulfonyl)-3-(4-piperidylphenyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.