2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
TL;DR: 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile (CAS 114414-26-5) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.05858 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
Also Known As: 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile, 4,5-isopropylidenedioxyphthalonitrile, 1,3-Benzodioxole-5,6-dicarbonitrile, 2,2-dimethyl-, 2,2-dimethyl-benzo[1,3]dioxole-5,6-dicarbonitrile, 1,3-Benzodioxole-5,6-dicarbonitrile,2,2-dimethyl
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2O2 |
| Molecular Weight | 200.05858 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.05858 Da |
| Heavy Atoms | 15 |
| Complexity | 325.0 |
| SMILES | CC1(OC2=C(O1)C=C(C(=C2)C#N)C#N)C |
| InChIKey | QJCKEWNNKHZPMT-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
Property Insights of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile 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
What is the CAS number of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile?
The CAS number of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile is 114414-26-5.
What is the molecular formula of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile?
The molecular formula of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile is C11H8N2O2.
What is the molecular weight of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile?
The molecular weight of 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile is 200.05858 g/mol.
Where can I buy 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile?
You can request a quote for 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-1,3-benzodioxole-5,6-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.