![2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile structure](/static/products/113/113711-55-0.webp)
2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile
TL;DR: 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile (CAS 113711-55-0) is a chemical compound with molecular formula C12H6N4O and molecular weight 222.05415 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile
Also Known As: 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile, 2-[(3-oxo-3,4-dihydro-2-quinoxalinyl)methylene]malononitrile, AH-262/36201019, 2-[(3-oxo-3,4-dihydroquinoxalin-2-yl)methylene]malononitrile
Technical Specifications
| Molecular Formula | C12H6N4O |
| Molecular Weight | 222.05415 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.05415 Da |
| Heavy Atoms | 17 |
| Complexity | 481.0 |
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=N2)C=C(C#N)C#N |
| InChIKey | FYSWIJVLGUJZQV-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile
Property Insights of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile 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 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile?
The CAS number of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile is 113711-55-0.
What is the molecular formula of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile?
The molecular formula of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile is C12H6N4O.
What is the molecular weight of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile?
The molecular weight of 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile is 222.05415 g/mol.
Where can I buy 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile?
You can request a quote for 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3-oxo-4H-quinoxalin-2-yl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.