![2-[(4-Formylphenyl)methylidene]propanedinitrile structure](/static/products/857/85754-58-1.png)
2-[(4-Formylphenyl)methylidene]propanedinitrile
TL;DR: 2-[(4-Formylphenyl)methylidene]propanedinitrile (CAS 85754-58-1) is a chemical compound with molecular formula C11H6N2O and molecular weight 182.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-formylphenyl)methylidene]propanedinitrile
Also Known As: (4-Formylbenzylidene)malononitrile, 4-(2,2-dicyanoethenyl)benzaldehyde, 2-(4-formylbenzylidene)malononitrile, benzylidenemalononitrile (BMN) deriv. 21, 2-[(4-formylphenyl)methylidene]propanedinitrile
| Molecular Formula | C11H6N2O |
|---|---|
| Molecular Weight | 182.05 g/mol |
| LogP | 1.92966 |
| Topological Polar Surface Area | 64.65 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.04802 |
| Heavy Atoms | 14 |
| Complexity | 427.66125 |
Chemical Identifiers
| CAS Number | 85754-58-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)C=O |
Product Overview
2-[(4-Formylphenyl)methylidene]propanedinitrile (CAS 85754-58-1), with molecular formula C11H6N2O and molecular weight 182.05 g/mol. IUPAC: 2-[(4-formylphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(4-Formylphenyl)methylidene]propanedinitrile
Property Insights of 2-[(4-Formylphenyl)methylidene]propanedinitrile
The XLogP value of 1.92966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Formylphenyl)methylidene]propanedinitrile. The TPSA of 64.65 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Formylphenyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-Formylphenyl)methylidene]propanedinitrile has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(4-Formylphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(4-Formylphenyl)methylidene]propanedinitrile is 85754-58-1.
What is the molecular formula of 2-[(4-Formylphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(4-Formylphenyl)methylidene]propanedinitrile is C11H6N2O.
What is the molecular weight of 2-[(4-Formylphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(4-Formylphenyl)methylidene]propanedinitrile is 182.05 g/mol.
Where can I buy 2-[(4-Formylphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(4-Formylphenyl)methylidene]propanedinitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4-Formylphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Formylphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.