![4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile structure](/static/products/1025/1025129-85-4.webp)
4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile
TL;DR: 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile (CAS 1025129-85-4) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11133 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile
Also Known As: 4,4-dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile, (Z)-4,4-dimethyl-2-((4-nitrophenylamino)methylene)-3-oxopentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-((4-NITROPHENYL)AMINO)PROP-2-ENENITRILE, 4,4-dimethyl-2-[(4-nitroanilino)methylene]-3-oxo-pentanenitrile, 4,4-dimethyl-2-[[(4-nitrophenyl)amino]methylidene]-3-oxo-pentanenitrile
Technical Specifications
| Molecular Formula | C14H15N3O3 |
| Molecular Weight | 273.11133 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.11133 Da |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=C(C=C1)[N+](=O)[O-])C#N |
| InChIKey | LTQJFWJELMGNMM-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile
Property Insights of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile
The XLogP value of 3.4 indicates that 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile?
The CAS number of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile is 1025129-85-4.
What is the molecular formula of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile?
The molecular formula of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile is C14H15N3O3.
What is the molecular weight of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile?
The molecular weight of 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile is 273.11133 g/mol.
Where can I buy 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile?
You can request a quote for 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-2-[(4-nitroanilino)methylidene]-3-oxopentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.