![2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile structure](/static/products/5983/59832-13-2.webp)
2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
TL;DR: 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile (CAS 59832-13-2) is a chemical compound with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
Also Known As: 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile, UPCMLD0ENAT5389863:001, benzylidenemalononitrile (BMN) deriv. 4, 2-(4-Hydroxy-3,5-dimethoxybenzylidene)malononitrile, (4-hydroxy-3,5-dimethoxybenzylidene)propanedinitrile
| Molecular Formula | C12H10N2O3 |
|---|---|
| Molecular Weight | 230.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 230.06914 |
| Heavy Atoms | 17 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 59832-13-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C=C(C#N)C#N |
| InChIKey | ZEGOLZJKCSVYBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile (CAS 59832-13-2), with molecular formula C12H10N2O3 and molecular weight 230.07 g/mol. IUPAC: 2-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
Property Insights of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile. Following Lipinski's Rule of Five, 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile has 1 hydrogen bond donor(s) and 5 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-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile?
The CAS number of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile is 59832-13-2.
What is the molecular formula of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile?
The molecular formula of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile is C12H10N2O3.
What is the molecular weight of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile?
The molecular weight of 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile is 230.07 g/mol.
Where can I buy 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile?
You can request a quote for 2-[(4-Hydroxy-3,5-dimethoxyphenyl)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-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Hydroxy-3,5-dimethoxyphenyl)methylidene]propanedinitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.