3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
TL;DR: 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile (CAS 1497445-43-8) is a chemical compound with molecular formula C16H20N2O and molecular weight 256.15756 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: (2E)-2-{[4-(dimethylamino)phenyl]methylidene}-4,4-dimethyl-3-oxopentanenitrile, 3-(4-(DIMETHYLAMINO)PHENYL)-2-(2,2-DIMETHYLPROPANOYL)PROP-2-ENENITRILE, (2E)-2-[[4-(dimethylamino)phenyl]methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-[(4-dimethylaminophenyl)methylidene]-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-[[4-(dimethylamino)phenyl]methylene]-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C16H20N2O |
| Molecular Weight | 256.15756 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.15756 Da |
| Heavy Atoms | 19 |
| Complexity | 398.0 |
| SMILES | CC(C)(C)C(=O)/C(=C/C1=CC=C(C=C1)N(C)C)/C#N |
| InChIKey | UHGAAONHQDUDKJ-JLHYYAGUSA-N |
Chemical Property Profile of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
Property Insights of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile
The XLogP value of 3.5 indicates that 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile 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
What is the CAS number of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The CAS number of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 1497445-43-8.
What is the molecular formula of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular formula of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is C16H20N2O.
What is the molecular weight of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
The molecular weight of 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile is 256.15756 g/mol.
Where can I buy 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
You can request a quote for 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 3-(4-(Dimethylamino)phenyl)-2-(2,2-dimethylpropanoyl)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.