Anthraquinone, 1,5-dinitro-2-methyl-
TL;DR: Anthraquinone, 1,5-dinitro-2-methyl- (CAS 51461-16-6) is a chemical compound with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1,5-dinitroanthracene-9,10-dione
Also Known As: 2-Methyl-1,5-dinitroanthraquinone, 2-methyl-1,5-dinitroanthracene-9,10-dione, 1,5-Dinitro-2-methyl-9,10-anthraquinone, ANTHRAQUINONE, 1,5-DINITRO-2-METHYL-, 9,10-Anthracenedione, 2-methyl-1,5-dinitro-
| Molecular Formula | C15H8N2O6 |
|---|---|
| Molecular Weight | 312.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.03824 |
| Heavy Atoms | 23 |
| Complexity | 565.0 |
Chemical Identifiers
| CAS Number | 51461-16-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC=C3[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | AYVQEYMBONJSMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Anthraquinone, 1,5-dinitro-2-methyl- (CAS 51461-16-6), with molecular formula C15H8N2O6 and molecular weight 312.04 g/mol. IUPAC: 2-methyl-1,5-dinitroanthracene-9,10-dione.
Chemical Property Profile of Anthraquinone, 1,5-dinitro-2-methyl-
Property Insights of Anthraquinone, 1,5-dinitro-2-methyl-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Anthraquinone, 1,5-dinitro-2-methyl-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Anthraquinone, 1,5-dinitro-2-methyl-. Following Lipinski's Rule of Five, Anthraquinone, 1,5-dinitro-2-methyl- 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 Anthraquinone, 1,5-dinitro-2-methyl-?
The CAS number of Anthraquinone, 1,5-dinitro-2-methyl- is 51461-16-6.
What is the molecular formula of Anthraquinone, 1,5-dinitro-2-methyl-?
The molecular formula of Anthraquinone, 1,5-dinitro-2-methyl- is C15H8N2O6.
What is the molecular weight of Anthraquinone, 1,5-dinitro-2-methyl-?
The molecular weight of Anthraquinone, 1,5-dinitro-2-methyl- is 312.04 g/mol.
Where can I buy Anthraquinone, 1,5-dinitro-2-methyl-?
You can request a quote for Anthraquinone, 1,5-dinitro-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Anthraquinone, 1,5-dinitro-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Anthraquinone, 1,5-dinitro-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.