(4-Ethoxybenzylidene)malononitrile
TL;DR: (4-Ethoxybenzylidene)malononitrile (CAS 2826-27-9) is a chemical compound with molecular formula C12H10N2O and molecular weight 198.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-(4-Ethoxybenzylidene)malononitrile, 2-[(4-ethoxyphenyl)methylidene]propanedinitrile, Maybridge1_006932, (4-ethoxybenzylidene)malononitrile, 4-Ethoxybenzylidenemalononitrile
| Molecular Formula | C12H10N2O |
|---|---|
| Molecular Weight | 198.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.07932 |
| Heavy Atoms | 15 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 2826-27-9 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C=C(C#N)C#N |
| InChIKey | KJYWHLYEROGTCD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Ethoxybenzylidene)malononitrile (CAS 2826-27-9), with molecular formula C12H10N2O and molecular weight 198.08 g/mol. IUPAC: 2-[(4-ethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of (4-Ethoxybenzylidene)malononitrile
Property Insights of (4-Ethoxybenzylidene)malononitrile
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Ethoxybenzylidene)malononitrile. With a topological polar surface area (TPSA) of 56.8 Ų, (4-Ethoxybenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Ethoxybenzylidene)malononitrile 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 (4-Ethoxybenzylidene)malononitrile?
The CAS number of (4-Ethoxybenzylidene)malononitrile is 2826-27-9.
What is the molecular formula of (4-Ethoxybenzylidene)malononitrile?
The molecular formula of (4-Ethoxybenzylidene)malononitrile is C12H10N2O.
What is the molecular weight of (4-Ethoxybenzylidene)malononitrile?
The molecular weight of (4-Ethoxybenzylidene)malononitrile is 198.08 g/mol.
Where can I buy (4-Ethoxybenzylidene)malononitrile?
You can request a quote for (4-Ethoxybenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Ethoxybenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Ethoxybenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.