2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile
TL;DR: 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile (CAS 1025665-48-8) is a chemical compound with molecular formula C14H16N2O and molecular weight 228.12627 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(anilinomethylidene)-4,4-dimethyl-3-oxopentanenitrile
Also Known As: 2-(2,2-DIMETHYLPROPANOYL)-3-(PHENYLAMINO)PROP-2-ENENITRILE, 2-(anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile, 2-(anilinomethylidene)-4,4-dimethyl-3-oxopentanenitrile, 2-(anilinomethylidene)-4,4-dimethyl-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C14H16N2O |
| Molecular Weight | 228.12627 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.12627 Da |
| Heavy Atoms | 17 |
| Complexity | 348.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=CC=C1)C#N |
| InChIKey | QTPNMRHOYXANEB-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile
Property Insights of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile
The XLogP value of 3.6 indicates that 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile has 1 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 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile?
The CAS number of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile is 1025665-48-8.
What is the molecular formula of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular formula of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile is C14H16N2O.
What is the molecular weight of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile?
The molecular weight of 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile is 228.12627 g/mol.
Where can I buy 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile?
You can request a quote for 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile?
Yes, CoreyChem provides custom synthesis services for 2-(Anilinomethylene)-4,4-dimethyl-3-oxo-pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.