2,3-Dicyano-1,4-naphthoquinone
TL;DR: 2,3-Dicyano-1,4-naphthoquinone (CAS 1018-78-6) is a chemical compound with molecular formula C12H4N2O2 and molecular weight 208.02728 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-dioxonaphthalene-2,3-dicarbonitrile
Also Known As: Ametohepazone, 2,3-DICYANO-1,4-NAPHTHOQUINONE, DCNQ, 1,4-dioxonaphthalene-2,3-dicarbonitrile, 4-CYCLOHEXYLBUTYLAMINE
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H4N2O2 |
| Molecular Weight | 208.02728 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.02728 Da |
| Heavy Atoms | 16 |
| Complexity | 452.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C(=C(C2=O)C#N)C#N |
| InChIKey | KIAJWKWOKTWTIZ-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Dicyano-1,4-naphthoquinone
Property Insights of 2,3-Dicyano-1,4-naphthoquinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dicyano-1,4-naphthoquinone. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dicyano-1,4-naphthoquinone. Following Lipinski's Rule of Five, 2,3-Dicyano-1,4-naphthoquinone 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 2,3-Dicyano-1,4-naphthoquinone?
The CAS number of 2,3-Dicyano-1,4-naphthoquinone is 1018-78-6.
What is the molecular formula of 2,3-Dicyano-1,4-naphthoquinone?
The molecular formula of 2,3-Dicyano-1,4-naphthoquinone is C12H4N2O2.
What is the molecular weight of 2,3-Dicyano-1,4-naphthoquinone?
The molecular weight of 2,3-Dicyano-1,4-naphthoquinone is 208.02728 g/mol.
Where can I buy 2,3-Dicyano-1,4-naphthoquinone?
You can request a quote for 2,3-Dicyano-1,4-naphthoquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Dicyano-1,4-naphthoquinone?
Yes, CoreyChem provides custom synthesis services for 2,3-Dicyano-1,4-naphthoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.