(4,5-Dihydroxyindanylidene)malononitrile
TL;DR: (4,5-Dihydroxyindanylidene)malononitrile (CAS 133550-13-7) is a chemical compound with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,5-dihydroxy-2,3-dihydroinden-1-ylidene)propanedinitrile
Also Known As: Tyrphostin deriv. 17, (4,5-Dihydroxyindanylidene)malononitrile, 2-(4,5-Dihydroxy-indan-1-ylidene)-malononitrile, 2-(4,5-dihydroxy-2,3-dihydro-1H-inden-1-ylidene)propanedinitrile, 2-(4,5-dihydroxy-2,3-dihydroinden-1-ylidene)propanedinitrile
| Molecular Formula | C12H8N2O2 |
|---|---|
| Molecular Weight | 212.06 g/mol |
| LogP | 1.84476 |
| Topological Polar Surface Area | 88.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.05858 |
| Heavy Atoms | 16 |
| Complexity | 557.90717 |
Chemical Identifiers
| CAS Number | 133550-13-7 |
|---|---|
| SMILES | C1CC(=C(C#N)C#N)C2=C1C(=C(C=C2)O)O |
Product Overview
(4,5-Dihydroxyindanylidene)malononitrile (CAS 133550-13-7), with molecular formula C12H8N2O2 and molecular weight 212.06 g/mol. IUPAC: 2-(4,5-dihydroxy-2,3-dihydroinden-1-ylidene)propanedinitrile.
Chemical Property Profile of (4,5-Dihydroxyindanylidene)malononitrile
Property Insights of (4,5-Dihydroxyindanylidene)malononitrile
The XLogP value of 1.84476 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4,5-Dihydroxyindanylidene)malononitrile. The TPSA of 88.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (4,5-Dihydroxyindanylidene)malononitrile. Following Lipinski's Rule of Five, (4,5-Dihydroxyindanylidene)malononitrile has 2 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 (4,5-Dihydroxyindanylidene)malononitrile?
The CAS number of (4,5-Dihydroxyindanylidene)malononitrile is 133550-13-7.
What is the molecular formula of (4,5-Dihydroxyindanylidene)malononitrile?
The molecular formula of (4,5-Dihydroxyindanylidene)malononitrile is C12H8N2O2.
What is the molecular weight of (4,5-Dihydroxyindanylidene)malononitrile?
The molecular weight of (4,5-Dihydroxyindanylidene)malononitrile is 212.06 g/mol.
Where can I buy (4,5-Dihydroxyindanylidene)malononitrile?
You can request a quote for (4,5-Dihydroxyindanylidene)malononitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-Dihydroxyindanylidene)malononitrile?
Yes, KEHONG BIO provides custom synthesis services for (4,5-Dihydroxyindanylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.