1,8-Dinitro-9,10-anthraquinone
TL;DR: 1,8-Dinitro-9,10-anthraquinone (CAS 129-39-5) is a chemical compound with molecular formula C14H6N2O6 and molecular weight 298.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dinitroanthracene-9,10-dione
Also Known As: 1,8-Dinitroanthraquinone, Waxoline Violet BA, 1,8-Dinitroanthracene-9,10-dione, 1,8-dinitro-9,10-anthraquinone, 9,10-Anthracenedione, 1,8-dinitro-
| Molecular Formula | C14H6N2O6 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 298.02258 |
| Heavy Atoms | 22 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 129-39-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-] |
| InChIKey | MBIJFIUDKPXMAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Dinitro-9,10-anthraquinone (CAS 129-39-5), with molecular formula C14H6N2O6 and molecular weight 298.02 g/mol. IUPAC: 1,8-dinitroanthracene-9,10-dione.
Chemical Property Profile of 1,8-Dinitro-9,10-anthraquinone
Property Insights of 1,8-Dinitro-9,10-anthraquinone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Dinitro-9,10-anthraquinone. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Dinitro-9,10-anthraquinone. Following Lipinski's Rule of Five, 1,8-Dinitro-9,10-anthraquinone 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
Frequently Asked Questions
What is the CAS number of 1,8-Dinitro-9,10-anthraquinone?
The CAS number of 1,8-Dinitro-9,10-anthraquinone is 129-39-5.
What is the molecular formula of 1,8-Dinitro-9,10-anthraquinone?
The molecular formula of 1,8-Dinitro-9,10-anthraquinone is C14H6N2O6.
What is the molecular weight of 1,8-Dinitro-9,10-anthraquinone?
The molecular weight of 1,8-Dinitro-9,10-anthraquinone is 298.02 g/mol.
Where can I buy 1,8-Dinitro-9,10-anthraquinone?
You can request a quote for 1,8-Dinitro-9,10-anthraquinone 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-9,10-anthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dinitro-9,10-anthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.