9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-
TL;DR: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- (CAS 128-91-6) is a chemical compound with molecular formula C14H6N2O8 and molecular weight 330.01242 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,5-dihydroxy-4,8-dinitroanthracene-9,10-dione
Also Known As: 1,5-Dihydroxy-4,8-dinitroanthraquinone, 4,8-Dinitroanthrarufin, Anthrarufin, 4,8-dinitro-, Anthrarufin,8-dinitro-, 4,5-dinitroanthraquinone
Technical Specifications
| Molecular Formula | C14H6N2O8 |
| Molecular Weight | 330.01242 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 330.01242 Da |
| Heavy Atoms | 24 |
| Complexity | 545.0 |
| SMILES | C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)[N+](=O)[O-])O)O |
| InChIKey | CUIHODIOWPLCMG-UHFFFAOYSA-N |
Chemical Property Profile of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-
Property Insights of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-. The TPSA of 166.0 Ų indicates high polarity, suggesting 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-?
The CAS number of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- is 128-91-6.
What is the molecular formula of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-?
The molecular formula of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- is C14H6N2O8.
What is the molecular weight of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-?
The molecular weight of 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- is 330.01242 g/mol.
Where can I buy 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-?
You can request a quote for 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro-?
Yes, CoreyChem provides custom synthesis services for 9,10-Anthracenedione, 1,5-dihydroxy-4,8-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.