2-(Dicyanomethylene)indan-1,3-dione
TL;DR: 2-(Dicyanomethylene)indan-1,3-dione (CAS 90522-66-0) is a chemical compound with molecular formula C12H4N2O2 and molecular weight 208.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dioxoinden-2-ylidene)propanedinitrile
Also Known As: 2-(Dicyanomethylene)indan-1,3-dione, 2-(1,3-dioxo-1H-inden-2(3H)-ylidene)malononitrile, 2-(1,3-dioxoinden-2-ylidene)propanedinitrile, 2- INDAN-1,3-DIONE, dicyanomethylene indan-1,3-dione
| Molecular Formula | C12H4N2O2 |
|---|---|
| Molecular Weight | 208.03 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.02728 |
| Heavy Atoms | 16 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 90522-66-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C#N)C#N)C2=O |
| InChIKey | WQFLMIPTYDGFOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Dicyanomethylene)indan-1,3-dione (CAS 90522-66-0), with molecular formula C12H4N2O2 and molecular weight 208.03 g/mol. IUPAC: 2-(1,3-dioxoinden-2-ylidene)propanedinitrile.
Chemical Property Profile of 2-(Dicyanomethylene)indan-1,3-dione
Property Insights of 2-(Dicyanomethylene)indan-1,3-dione
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Dicyanomethylene)indan-1,3-dione. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Dicyanomethylene)indan-1,3-dione. Following Lipinski's Rule of Five, 2-(Dicyanomethylene)indan-1,3-dione has 0 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 2-(Dicyanomethylene)indan-1,3-dione?
The CAS number of 2-(Dicyanomethylene)indan-1,3-dione is 90522-66-0.
What is the molecular formula of 2-(Dicyanomethylene)indan-1,3-dione?
The molecular formula of 2-(Dicyanomethylene)indan-1,3-dione is C12H4N2O2.
What is the molecular weight of 2-(Dicyanomethylene)indan-1,3-dione?
The molecular weight of 2-(Dicyanomethylene)indan-1,3-dione is 208.03 g/mol.
Where can I buy 2-(Dicyanomethylene)indan-1,3-dione?
You can request a quote for 2-(Dicyanomethylene)indan-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Dicyanomethylene)indan-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(Dicyanomethylene)indan-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.