2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile
TL;DR: 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile (CAS 1025306-51-7) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.13684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(4-hydroxy-2-methylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-{[(4-hydroxy-2-methylphenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile, (2E)-2-{[(4-hydroxy-2-methylphenyl)amino]methylidene}-4,4-dimethyl-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-((4-HYDROXY-2-METHYLPHENYL)AMINO)PROP-2-ENENITRILE, 2-[(4-hydroxy-2-methyl-anilino)methylene]-4,4-dimethyl-3-oxo-pentanenitrile, 2-[(4-hydroxy-2-methylanilino)methylidene]-4,4-dimethyl-3-oxopentanenitrile
Technical Specifications
| Molecular Formula | C15H18N2O2 |
| Molecular Weight | 258.13684 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.13684 Da |
| Heavy Atoms | 19 |
| Complexity | 412.0 |
| SMILES | CC1=C(C=CC(=C1)O)NC=C(C#N)C(=O)C(C)(C)C |
| InChIKey | AANFUNSASZCEJI-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile
Property Insights of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile
The XLogP value of 3.6 indicates that 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile. Following Lipinski's Rule of Five, 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile?
The CAS number of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile is 1025306-51-7.
What is the molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile?
The molecular formula of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile is C15H18N2O2.
What is the molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile?
The molecular weight of 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile is 258.13684 g/mol.
Where can I buy 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile?
You can request a quote for 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(2,2-Dimethylpropanoyl)-3-((4-hydroxy-2-methylphenyl)amino)prop-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.