![Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- structure](/static/products/1023/102353-99-1.webp)
Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
TL;DR: Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- (CAS 102353-99-1) is a chemical compound with molecular formula C14H8N2O2 and molecular weight 236.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile
Also Known As: 3-(2,2-dicyano-1-methylethenyl)coumarin, 2-[1-(2-oxochromen-3-yl)ethylidene]propanedinitrile, 2-(1-(2-oxo-2H-chromen-3-yl)ethylidene)malononitrile, J1.213.427D, Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
Technical Specifications
| Molecular Formula | C14H8N2O2 |
| Molecular Weight | 236.05858 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 73.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.05858 Da |
| Heavy Atoms | 18 |
| Complexity | 521.0 |
| SMILES | CC(=C(C#N)C#N)C1=CC2=CC=CC=C2OC1=O |
| InChIKey | KFBGSZIESUFNGS-UHFFFAOYSA-N |
Chemical Property Profile of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
Property Insights of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-. Following Lipinski's Rule of Five, Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- has 0 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 Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-?
The CAS number of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- is 102353-99-1.
What is the molecular formula of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-?
The molecular formula of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- is C14H8N2O2.
What is the molecular weight of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-?
The molecular weight of Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- is 236.05858 g/mol.
Where can I buy Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-?
You can request a quote for Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]-?
Yes, CoreyChem provides custom synthesis services for Propanedinitrile, [1-(2-oxo-2H-1-benzopyran-3-yl)ethylidene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.