2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione
TL;DR: 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione (CAS 125647-89-4) is a chemical compound with molecular formula C16H9NO5 and molecular weight 295.04807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-(3-nitrophenyl)naphthalene-1,2-dione
Also Known As: 2-Hydroxy-3-(3-nitro-phenyl)-[1,4]naphthoquinone, 2-hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione, 4-hydroxy-3-(3-nitrophenyl)naphthalene-1,2-dione
Technical Specifications
| Molecular Formula | C16H9NO5 |
| Molecular Weight | 295.04807 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.04807 Da |
| Heavy Atoms | 22 |
| Complexity | 547.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)C3=CC(=CC=C3)[N+](=O)[O-])O |
| InChIKey | ZAMCDBWUAJITLA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione
Property Insights of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione. Following Lipinski's Rule of Five, 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione?
The CAS number of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione is 125647-89-4.
What is the molecular formula of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione?
The molecular formula of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione is C16H9NO5.
What is the molecular weight of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione?
The molecular weight of 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione is 295.04807 g/mol.
Where can I buy 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione?
You can request a quote for 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 2-Hydroxy-3-(3-nitrophenyl)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.