(E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile
TL;DR: (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile (CAS 885185-72-8) is a chemical compound with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
Also Known As: VU0605240-1, (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile, F3225-7743, (2E)-2-(3,4-DIMETHYLBENZENESULFONYL)-3-(4-PHENYLPIPERAZIN-1-YL)PROP-2-ENENITRILE, (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile
| Molecular Formula | C21H23N3O2S |
|---|---|
| Molecular Weight | 381.15 g/mol |
| LogP | 3.26432 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 381.1511 |
| Heavy Atoms | 27 |
| Complexity | 983.832 |
Chemical Identifiers
| CAS Number | 885185-72-8 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC=CC=C3)/C#N)C |
Product Overview
(E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile (CAS 885185-72-8), with molecular formula C21H23N3O2S and molecular weight 381.15 g/mol. IUPAC: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-phenylpiperazin-1-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile
Property Insights of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile
The XLogP value of 3.26432 indicates that (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile 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
Frequently Asked Questions
What is the CAS number of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile?
The CAS number of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile is 885185-72-8.
What is the molecular formula of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile?
The molecular formula of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile is C21H23N3O2S.
What is the molecular weight of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile?
The molecular weight of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile is 381.15 g/mol.
Where can I buy (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile?
You can request a quote for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-phenylpiperazin-1-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.