![2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile structure](/static/products/1184/118409-64-6.webp)
2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile
TL;DR: 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile (CAS 118409-64-6) is a chemical compound with molecular formula C10H6N2O2 and molecular weight 186.04292 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,5-dihydroxyphenyl)methylidene]propanedinitrile
Also Known As: 3,5-Dihydroxybenzylidenemalononitrile, benzylidenemalononitrile (BMN) deriv. 22, (3,5-Dihydroxybenzylidene)malononitrile, 2-[(3,5-dihydroxyphenyl)methylidene]propanedinitrile, 2-(3,5-Dihydroxyphenyl)ethene-1,1-dicarbonitrile
Technical Specifications
| Molecular Formula | C10H6N2O2 |
| Molecular Weight | 186.04292 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 186.04292 Da |
| Heavy Atoms | 14 |
| Complexity | 303.0 |
| SMILES | C1=C(C=C(C=C1O)O)C=C(C#N)C#N |
| InChIKey | CEQLJWDOOOWWJE-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile
Property Insights of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile has 2 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-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile is 118409-64-6.
What is the molecular formula of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile is C10H6N2O2.
What is the molecular weight of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile is 186.04292 g/mol.
Where can I buy 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile?
Yes, CoreyChem provides custom synthesis services for 2-[(3,5-Dihydroxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.