9,10-Phenanthrenedione, 2,4,7-trinitro-
TL;DR: 9,10-Phenanthrenedione, 2,4,7-trinitro- (CAS 47430-58-0) is a chemical compound with molecular formula C14H5N3O8 and molecular weight 343.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,7-trinitrophenanthrene-9,10-dione
Also Known As: Isatin biscresol, 2,4,7-Trinitrophenanthrenequinone, 9,10-Phenanthrenedione, 2,4,7-trinitro-, 2,4,7-trinitrophenanthrene-9,10-dione, 2-07-00-00730 (Beilstein Handbook Reference)
| Molecular Formula | C14H5N3O8 |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 172.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 343.00766 |
| Heavy Atoms | 25 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 47430-58-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)C3=C2C(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RBFUXCYPJKXNMP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9,10-Phenanthrenedione, 2,4,7-trinitro- (CAS 47430-58-0), with molecular formula C14H5N3O8 and molecular weight 343.01 g/mol. IUPAC: 2,4,7-trinitrophenanthrene-9,10-dione.
Chemical Property Profile of 9,10-Phenanthrenedione, 2,4,7-trinitro-
Property Insights of 9,10-Phenanthrenedione, 2,4,7-trinitro-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9,10-Phenanthrenedione, 2,4,7-trinitro-. The TPSA of 172.0 Ų indicates high polarity, suggesting 9,10-Phenanthrenedione, 2,4,7-trinitro- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 9,10-Phenanthrenedione, 2,4,7-trinitro- has 0 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 9,10-Phenanthrenedione, 2,4,7-trinitro-?
The CAS number of 9,10-Phenanthrenedione, 2,4,7-trinitro- is 47430-58-0.
What is the molecular formula of 9,10-Phenanthrenedione, 2,4,7-trinitro-?
The molecular formula of 9,10-Phenanthrenedione, 2,4,7-trinitro- is C14H5N3O8.
What is the molecular weight of 9,10-Phenanthrenedione, 2,4,7-trinitro-?
The molecular weight of 9,10-Phenanthrenedione, 2,4,7-trinitro- is 343.01 g/mol.
Where can I buy 9,10-Phenanthrenedione, 2,4,7-trinitro-?
You can request a quote for 9,10-Phenanthrenedione, 2,4,7-trinitro- 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, 2,4,7-trinitro-?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Phenanthrenedione, 2,4,7-trinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.