1,6-Dinitroanthraquinone
TL;DR: 1,6-Dinitroanthraquinone (CAS 1604-42-8) is a chemical compound with molecular formula C14H6N2O6 and molecular weight 298.02258 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,6-dinitroanthracene-9,10-dione
Also Known As: 1,6-Dinitroanthraquinone, 1,6-dinitro-anthraquinone, 1,6-Dinitroanthrachinon, 1,6-dinitroanthracene-9,10-dione, 1,6-dinitro-9,10-anthraquinone
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H6N2O6 |
| Molecular Weight | 298.02258 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.02258 Da |
| Heavy Atoms | 22 |
| Complexity | 536.0 |
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | UQKJUEALIQRECQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,6-Dinitroanthraquinone
Property Insights of 1,6-Dinitroanthraquinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6-Dinitroanthraquinone. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,6-Dinitroanthraquinone. Following Lipinski's Rule of Five, 1,6-Dinitroanthraquinone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,6-Dinitroanthraquinone?
The CAS number of 1,6-Dinitroanthraquinone is 1604-42-8.
What is the molecular formula of 1,6-Dinitroanthraquinone?
The molecular formula of 1,6-Dinitroanthraquinone is C14H6N2O6.
What is the molecular weight of 1,6-Dinitroanthraquinone?
The molecular weight of 1,6-Dinitroanthraquinone is 298.02258 g/mol.
Where can I buy 1,6-Dinitroanthraquinone?
You can request a quote for 1,6-Dinitroanthraquinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,6-Dinitroanthraquinone?
Yes, CoreyChem provides custom synthesis services for 1,6-Dinitroanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.