2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile
TL;DR: 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile (CAS 150900-42-8) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dihydroxy-5-methylphenyl)methylidene]propanedinitrile
Also Known As: Propanedinitrile,[ methylene]-, 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile, 2-(3,4-Dihydroxy-5-methyl-benzylidene)-malononitrile, 2-[(3,4-DIHYDROXY-5-METHYLPHENYL)METHYLIDENE]PROPANEDINITRILE, 2-[3-Methyl-4,5-dihydroxybenzylidene]propanedinitrile
Technical Specifications
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.05858 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 88.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05858 Da |
| Heavy Atoms | 15 |
| Complexity | 339.0 |
| SMILES | CC1=CC(=CC(=C1O)O)C=C(C#N)C#N |
| InChIKey | NBBJLHJHLMMMKM-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile
Property Insights of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile. The TPSA of 88.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile. Following Lipinski's Rule of Five, 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile 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-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile?
The CAS number of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile is 150900-42-8.
What is the molecular formula of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile?
The molecular formula of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile is C11H8N2O2.
What is the molecular weight of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile?
The molecular weight of 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile is 200.05858 g/mol.
Where can I buy 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile?
You can request a quote for 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(3,4-Dihydroxy-5-methylbenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.