(E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile
TL;DR: (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile (CAS 885186-07-2) is a chemical compound with molecular formula C16H21N3O2S and molecular weight 319.14 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-methylpiperazin-1-yl)prop-2-enenitrile
Also Known As: VU0605245-1, (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile, F3225-7748, (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)prop-2-enenitrile, (2E)-2-(3,4-DIMETHYLBENZENESULFONYL)-3-(4-METHYLPIPERAZIN-1-YL)PROP-2-ENENITRILE
| Molecular Formula | C16H21N3O2S |
|---|---|
| Molecular Weight | 319.14 g/mol |
| LogP | 1.68952 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.13544 |
| Heavy Atoms | 22 |
| Complexity | 724.2481 |
Chemical Identifiers
| CAS Number | 885186-07-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C)/C#N)C |
Product Overview
(E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile (CAS 885186-07-2), with molecular formula C16H21N3O2S and molecular weight 319.14 g/mol. IUPAC: (E)-2-(3,4-dimethylphenyl)sulfonyl-3-(4-methylpiperazin-1-yl)prop-2-enenitrile.
Chemical Property Profile of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile
Property Insights of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile
The XLogP value of 1.68952 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile. 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-methylpiperazin-1-yl)acrylonitrile. Following Lipinski's Rule of Five, (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-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-methylpiperazin-1-yl)acrylonitrile?
The CAS number of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile is 885186-07-2.
What is the molecular formula of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile?
The molecular formula of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile is C16H21N3O2S.
What is the molecular weight of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile?
The molecular weight of (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile is 319.14 g/mol.
Where can I buy (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile?
You can request a quote for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-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-methylpiperazin-1-yl)acrylonitrile?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((3,4-dimethylphenyl)sulfonyl)-3-(4-methylpiperazin-1-yl)acrylonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.