4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile
TL;DR: 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile (CAS 128914-79-4) is a chemical compound with molecular formula C13H9ClN2O and molecular weight 244.04034 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-hydroxy-2-quinolin-2-ylbut-2-enenitrile
Also Known As: 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile, 4-CHLORO-2-(1,2-DIHYDROQUINOLIN-2-YLIDEN)-3-OXOBUTANENITRILE, (2E)-4-chloro-3-oxo-2-(1H-quinolin-2-ylidene)butanenitrile
Technical Specifications
| Molecular Formula | C13H9ClN2O |
| Molecular Weight | 244.04034 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 56.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.04034 Da |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
| SMILES | C1=CC=C2C(=C1)C=CC(=N2)C(=C(CCl)O)C#N |
| InChIKey | FTNAJERBOLRVSE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile
Property Insights of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile. With a topological polar surface area (TPSA) of 56.9 Ų, 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile 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 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile?
The CAS number of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile is 128914-79-4.
What is the molecular formula of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile?
The molecular formula of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile is C13H9ClN2O.
What is the molecular weight of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile?
The molecular weight of 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile is 244.04034 g/mol.
Where can I buy 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile?
You can request a quote for 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile?
Yes, CoreyChem provides custom synthesis services for 4-Chloro-3-oxo-2-(quinolin-2(1H)-ylidene)butanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.