1,8-Dinitro-4,5-dihydroxyanthraquinone
TL;DR: 1,8-Dinitro-4,5-dihydroxyanthraquinone (CAS 81-55-0) is a chemical compound with molecular formula C14H6N2O8 and molecular weight 330.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione
Also Known As: 1,8-DIHYDROXY-4,5-DINITROANTHRAQUINONE, 4,5-Dinitrochrysazin, 1,8-Dinitro-4,5-dihydroxyanthraquinone, Chrysazin, 4,5-dinitro-, NCI-C60742
| Molecular Formula | C14H6N2O8 |
|---|---|
| Molecular Weight | 330.01 g/mol |
| LogP | 1.6896 |
| Topological Polar Surface Area | 160.88 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 330.01242 |
| Heavy Atoms | 24 |
| Complexity | 903.7251 |
Chemical Identifiers
| CAS Number | 81-55-0 |
|---|---|
| SMILES | C1=CC(=C2C(=C1[N+](=O)[O-])C(=O)C3=C(C=CC(=C3C2=O)O)[N+](=O)[O-])O |
Product Overview
1,8-Dinitro-4,5-dihydroxyanthraquinone (CAS 81-55-0), with molecular formula C14H6N2O8 and molecular weight 330.01 g/mol. IUPAC: 1,8-dihydroxy-4,5-dinitroanthracene-9,10-dione.
Chemical Property Profile of 1,8-Dinitro-4,5-dihydroxyanthraquinone
Property Insights of 1,8-Dinitro-4,5-dihydroxyanthraquinone
The XLogP value of 1.6896 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Dinitro-4,5-dihydroxyanthraquinone. The TPSA of 160.88 Ų indicates high polarity, suggesting 1,8-Dinitro-4,5-dihydroxyanthraquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Dinitro-4,5-dihydroxyanthraquinone 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
Frequently Asked Questions
What is the CAS number of 1,8-Dinitro-4,5-dihydroxyanthraquinone?
The CAS number of 1,8-Dinitro-4,5-dihydroxyanthraquinone is 81-55-0.
What is the molecular formula of 1,8-Dinitro-4,5-dihydroxyanthraquinone?
The molecular formula of 1,8-Dinitro-4,5-dihydroxyanthraquinone is C14H6N2O8.
What is the molecular weight of 1,8-Dinitro-4,5-dihydroxyanthraquinone?
The molecular weight of 1,8-Dinitro-4,5-dihydroxyanthraquinone is 330.01 g/mol.
Where can I buy 1,8-Dinitro-4,5-dihydroxyanthraquinone?
You can request a quote for 1,8-Dinitro-4,5-dihydroxyanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Dinitro-4,5-dihydroxyanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dinitro-4,5-dihydroxyanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.