2-(3-Methoxybenzylidene)malononitrile
TL;DR: 2-(3-Methoxybenzylidene)malononitrile (CAS 29910-92-7) is a chemical compound with molecular formula C11H8N2O and molecular weight 184.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-(3-Methoxybenzylidene)malononitrile, (3-methoxybenzylidene)malononitrile, NCIOpen2_001352, 3-Methoxybenzylidenemalononitrile, 2-[(3-methoxyphenyl)methylidene]propanedinitrile
| Molecular Formula | C11H8N2O |
|---|---|
| Molecular Weight | 184.06 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.06366 |
| Heavy Atoms | 14 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 29910-92-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C=C(C#N)C#N |
| InChIKey | LZBVVVZUWLWGHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(3-Methoxybenzylidene)malononitrile (CAS 29910-92-7), with molecular formula C11H8N2O and molecular weight 184.06 g/mol. IUPAC: 2-[(3-methoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-(3-Methoxybenzylidene)malononitrile
Property Insights of 2-(3-Methoxybenzylidene)malononitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Methoxybenzylidene)malononitrile. With a topological polar surface area (TPSA) of 56.8 Ų, 2-(3-Methoxybenzylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Methoxybenzylidene)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 2-(3-Methoxybenzylidene)malononitrile?
The CAS number of 2-(3-Methoxybenzylidene)malononitrile is 29910-92-7.
What is the molecular formula of 2-(3-Methoxybenzylidene)malononitrile?
The molecular formula of 2-(3-Methoxybenzylidene)malononitrile is C11H8N2O.
What is the molecular weight of 2-(3-Methoxybenzylidene)malononitrile?
The molecular weight of 2-(3-Methoxybenzylidene)malononitrile is 184.06 g/mol.
Where can I buy 2-(3-Methoxybenzylidene)malononitrile?
You can request a quote for 2-(3-Methoxybenzylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Methoxybenzylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Methoxybenzylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.