3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
TL;DR: 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile (CAS 885186-63-0) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.1511 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Also Known As: (E)-3-(4-benzylpiperazino)-2-[(4-methylphenyl)sulfonyl]-2-propenenitrile, 3-(4-benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile, 3-(4-benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile, (2E)-3-(4-benzylpiperazin-1-yl)-2-(4-methylbenzenesulfonyl)prop-2-enenitrile, 2-((4-METHYLPHENYL)SULFONYL)-3-(4-BENZYLPIPERAZINYL)PROP-2-ENENITRILE
Technical Specifications
| Molecular Formula | C21H23N3O2S |
| Molecular Weight | 381.1511 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 72.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.1511 Da |
| Heavy Atoms | 27 |
| Complexity | 651.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(=CN2CCN(CC2)CC3=CC=CC=C3)C#N |
| InChIKey | NNDIBAKLZNJWHD-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
Property Insights of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile
The XLogP value of 3.0 indicates that 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile. Following Lipinski's Rule of Five, 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile?
The CAS number of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile is 885186-63-0.
What is the molecular formula of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile?
The molecular formula of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile is C21H23N3O2S.
What is the molecular weight of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile?
The molecular weight of 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile is 381.1511 g/mol.
Where can I buy 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile?
You can request a quote for 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-Benzylpiperazin-1-yl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.