![4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile structure](/static/products/1025/1025578-01-1.webp)
4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile
TL;DR: 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile (CAS 1025578-01-1) is a chemical compound with molecular formula C17H17N3O and molecular weight 279.13718 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,4-dimethyl-3-oxo-2-[(quinolin-8-ylamino)methylidene]pentanenitrile
Also Known As: 4,4-dimethyl-3-oxo-2-[(quinolin-8-ylamino)methylidene]pentanenitrile, 2-(2,2-DIMETHYLPROPANOYL)-3-(8-QUINOLYLAMINO)PROP-2-ENENITRILE, 4,4-dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile, (E)-2-(2,2-dimethylpropanoyl)-3-(8-quinolinylamino)-2-propenenitrile, (2E)-4,4-dimethyl-3-oxo-2-{[(quinolin-8-yl)amino]methylidene}pentanenitrile
Technical Specifications
| Molecular Formula | C17H17N3O |
| Molecular Weight | 279.13718 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 65.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.13718 Da |
| Heavy Atoms | 21 |
| Complexity | 466.0 |
| SMILES | CC(C)(C)C(=O)C(=CNC1=CC=CC2=C1N=CC=C2)C#N |
| InChIKey | OEGMSMCRKYZDBJ-UHFFFAOYSA-N |
Chemical Property Profile of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile
Property Insights of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile
The XLogP value of 3.9 indicates that 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile. Following Lipinski's Rule of Five, 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile has 1 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 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile?
The CAS number of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile is 1025578-01-1.
What is the molecular formula of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile?
The molecular formula of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile is C17H17N3O.
What is the molecular weight of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile?
The molecular weight of 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile is 279.13718 g/mol.
Where can I buy 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile?
You can request a quote for 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile?
Yes, CoreyChem provides custom synthesis services for 4,4-Dimethyl-3-oxo-2-[(8-quinolylamino)methylene]pentanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.