2-Nitrophenanthraquinone
TL;DR: 2-Nitrophenanthraquinone (CAS 604-95-5) is a chemical compound with molecular formula C14H7NO4 and molecular weight 253.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitrophenanthrene-9,10-dione
Also Known As: 2-nitrophenanthrene-9,10-dione, 2-Nitrophenanthraquinone, 2-Nitro-9,10-phenanthrenedione, 9, 2-nitro-, 2-nitro-9,10-phenanthrenequinone
| Molecular Formula | C14H7NO4 |
|---|---|
| Molecular Weight | 253.04 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 253.0375 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 604-95-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C2=O |
| InChIKey | KNAXWOBOCVVMST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitrophenanthraquinone (CAS 604-95-5), with molecular formula C14H7NO4 and molecular weight 253.04 g/mol. IUPAC: 2-nitrophenanthrene-9,10-dione.
Chemical Property Profile of 2-Nitrophenanthraquinone
Property Insights of 2-Nitrophenanthraquinone
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Nitrophenanthraquinone. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitrophenanthraquinone. Following Lipinski's Rule of Five, 2-Nitrophenanthraquinone has 0 hydrogen bond donor(s) and 4 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 2-Nitrophenanthraquinone?
The CAS number of 2-Nitrophenanthraquinone is 604-95-5.
What is the molecular formula of 2-Nitrophenanthraquinone?
The molecular formula of 2-Nitrophenanthraquinone is C14H7NO4.
What is the molecular weight of 2-Nitrophenanthraquinone?
The molecular weight of 2-Nitrophenanthraquinone is 253.04 g/mol.
Where can I buy 2-Nitrophenanthraquinone?
You can request a quote for 2-Nitrophenanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Nitrophenanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitrophenanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.