4-Hydroxybenzylidenemalononitrile
TL;DR: 4-Hydroxybenzylidenemalononitrile (CAS 3785-90-8) is a chemical compound with molecular formula C10H6N2O and molecular weight 170.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-hydroxyphenyl)methylidene]propanedinitrile
Also Known As: Tyrphostin 8, 4-Hydroxybenzylidenemalononitrile, 2-(4-hydroxybenzylidene)malononitrile, Tyrphostin A-8, Tyrphostin AG-10
| Molecular Formula | C10H6N2O |
|---|---|
| Molecular Weight | 170.05 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.04802 |
| Heavy Atoms | 13 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 3785-90-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C(C#N)C#N)O |
| InChIKey | FNCOVSWSZZVFBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hydroxybenzylidenemalononitrile (CAS 3785-90-8), with molecular formula C10H6N2O and molecular weight 170.05 g/mol. IUPAC: 2-[(4-hydroxyphenyl)methylidene]propanedinitrile.
Chemical Property Profile of 4-Hydroxybenzylidenemalononitrile
Property Insights of 4-Hydroxybenzylidenemalononitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxybenzylidenemalononitrile. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Hydroxybenzylidenemalononitrile. Following Lipinski's Rule of Five, 4-Hydroxybenzylidenemalononitrile has 1 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-Hydroxybenzylidenemalononitrile?
The CAS number of 4-Hydroxybenzylidenemalononitrile is 3785-90-8.
What is the molecular formula of 4-Hydroxybenzylidenemalononitrile?
The molecular formula of 4-Hydroxybenzylidenemalononitrile is C10H6N2O.
What is the molecular weight of 4-Hydroxybenzylidenemalononitrile?
The molecular weight of 4-Hydroxybenzylidenemalononitrile is 170.05 g/mol.
Where can I buy 4-Hydroxybenzylidenemalononitrile?
You can request a quote for 4-Hydroxybenzylidenemalononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybenzylidenemalononitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybenzylidenemalononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.