4,5-Dinitrophenanthrene-9,10-dione
TL;DR: 4,5-Dinitrophenanthrene-9,10-dione (CAS 32312-87-1) 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.
4,5-dinitrophenanthrene-9,10-dione
Also Known As: 4,5-dinitrophenanthrene-9,10-dione, 9,10-Phenanthrenedione,4,5-dinitro-, 4,5-dinitro-9,10-phenanthrenedione, 4,5-dinitro-phenanthrene-9,10-dione, 4,5-dinitro-9,10-phenanthrenequinone
| Molecular Formula | C14H6N2O6 |
|---|---|
| Molecular Weight | 298.02 g/mol |
| LogP | 2.3 |
| 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 | 32312-87-1 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C3=C(C=CC=C3[N+](=O)[O-])C(=O)C2=O |
| InChIKey | MKNHPRWGHGSYFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dinitrophenanthrene-9,10-dione (CAS 32312-87-1), with molecular formula C14H6N2O6 and molecular weight 298.02 g/mol. IUPAC: 4,5-dinitrophenanthrene-9,10-dione.
Chemical Property Profile of 4,5-Dinitrophenanthrene-9,10-dione
Property Insights of 4,5-Dinitrophenanthrene-9,10-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dinitrophenanthrene-9,10-dione. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dinitrophenanthrene-9,10-dione. Following Lipinski's Rule of Five, 4,5-Dinitrophenanthrene-9,10-dione 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 4,5-Dinitrophenanthrene-9,10-dione?
The CAS number of 4,5-Dinitrophenanthrene-9,10-dione is 32312-87-1.
What is the molecular formula of 4,5-Dinitrophenanthrene-9,10-dione?
The molecular formula of 4,5-Dinitrophenanthrene-9,10-dione is C14H6N2O6.
What is the molecular weight of 4,5-Dinitrophenanthrene-9,10-dione?
The molecular weight of 4,5-Dinitrophenanthrene-9,10-dione is 298.02 g/mol.
Where can I buy 4,5-Dinitrophenanthrene-9,10-dione?
You can request a quote for 4,5-Dinitrophenanthrene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dinitrophenanthrene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dinitrophenanthrene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.