9,10-Phenanthrenedione, 2,7-dinitro-
TL;DR: 9,10-Phenanthrenedione, 2,7-dinitro- (CAS 604-94-4) 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.
2,7-dinitrophenanthrene-9,10-dione
Also Known As: 2,7-Dinitro-9,10-phenanthrenedione, 2,7-dinitrophenanthrene-9,10-dione, 2,7-Dinitrophenanthraquinone, 2,7-Dinitrophenanthrenequinone, Phenanthrenequinone, 2,7-dinitro-
| Molecular Formula | C14H6N2O6 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.2 |
| 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 | 488.0 |
Chemical Identifiers
| CAS Number | 604-94-4 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C=CC(=C3)[N+](=O)[O-] |
| InChIKey | NLYJKDKBQGPHLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Phenanthrenedione, 2,7-dinitro- (CAS 604-94-4), with molecular formula C14H6N2O6 and molecular weight 298.02 g/mol. IUPAC: 2,7-dinitrophenanthrene-9,10-dione.
Chemical Property Profile of 9,10-Phenanthrenedione, 2,7-dinitro-
Property Insights of 9,10-Phenanthrenedione, 2,7-dinitro-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Phenanthrenedione, 2,7-dinitro-. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Phenanthrenedione, 2,7-dinitro-. Following Lipinski's Rule of Five, 9,10-Phenanthrenedione, 2,7-dinitro- 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 9,10-Phenanthrenedione, 2,7-dinitro-?
The CAS number of 9,10-Phenanthrenedione, 2,7-dinitro- is 604-94-4.
What is the molecular formula of 9,10-Phenanthrenedione, 2,7-dinitro-?
The molecular formula of 9,10-Phenanthrenedione, 2,7-dinitro- is C14H6N2O6.
What is the molecular weight of 9,10-Phenanthrenedione, 2,7-dinitro-?
The molecular weight of 9,10-Phenanthrenedione, 2,7-dinitro- is 298.02 g/mol.
Where can I buy 9,10-Phenanthrenedione, 2,7-dinitro-?
You can request a quote for 9,10-Phenanthrenedione, 2,7-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Phenanthrenedione, 2,7-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Phenanthrenedione, 2,7-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.