(3-Ethoxy-4-hydroxybenzylidene)malononitrile
TL;DR: (3-Ethoxy-4-hydroxybenzylidene)malononitrile (CAS 2972-75-0) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: (3-ethoxy-4-hydroxybenzylidene)malononitrile, 2-(3-Ethoxy-4-hydroxybenzylidene)malononitrile, 2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanedinitrile, KST-1A2421, 3-Ethoxy-4-hydroxy-benzalmalonitril
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 77.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 2972-75-0 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)C=C(C#N)C#N)O |
| InChIKey | NICBMMKNBWCVPN-UHFFFAOYSA-N |
Product Overview
(3-Ethoxy-4-hydroxybenzylidene)malononitrile (CAS 2972-75-0), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: 2-[(3-ethoxy-4-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (3-Ethoxy-4-hydroxybenzylidene)malononitrile
Property Insights of (3-Ethoxy-4-hydroxybenzylidene)malononitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Ethoxy-4-hydroxybenzylidene)malononitrile. The TPSA of 77.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Ethoxy-4-hydroxybenzylidene)malononitrile. Following Lipinski's Rule of Five, (3-Ethoxy-4-hydroxybenzylidene)malononitrile 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
Frequently Asked Questions
What is the CAS number of (3-Ethoxy-4-hydroxybenzylidene)malononitrile?
The CAS number of (3-Ethoxy-4-hydroxybenzylidene)malononitrile is 2972-75-0.
What is the molecular formula of (3-Ethoxy-4-hydroxybenzylidene)malononitrile?
The molecular formula of (3-Ethoxy-4-hydroxybenzylidene)malononitrile is C12H10N2O2.
What is the molecular weight of (3-Ethoxy-4-hydroxybenzylidene)malononitrile?
The molecular weight of (3-Ethoxy-4-hydroxybenzylidene)malononitrile is 214.07 g/mol.
Where can I buy (3-Ethoxy-4-hydroxybenzylidene)malononitrile?
You can request a quote for (3-Ethoxy-4-hydroxybenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Ethoxy-4-hydroxybenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Ethoxy-4-hydroxybenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.