1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-
TL;DR: 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- (CAS 135330-13-1) is a chemical compound with molecular formula C16H10N2O5 and molecular weight 310.05896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-(3-nitroanilino)naphthalene-1,2-dione
Also Known As: 1,4-Naphthoquinone der., 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-, 4-hydroxy-3-(3-nitroanilino)naphthalene-1,2-dione, 2-hydroxy-3-(3-nitroanilino)naphthalene-1,4-dione, 2-Hydroxy-3-(3-nitrophenyl)amino-1,4-naphthoquinone
Technical Specifications
| Molecular Formula | C16H10N2O5 |
| Molecular Weight | 310.05896 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.05896 Da |
| Heavy Atoms | 23 |
| Complexity | 565.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)NC3=CC(=CC=C3)[N+](=O)[O-])O |
| InChIKey | FWJIFYWPDQDCEC-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-
Property Insights of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-. Following Lipinski's Rule of Five, 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-?
The CAS number of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- is 135330-13-1.
What is the molecular formula of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-?
The molecular formula of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- is C16H10N2O5.
What is the molecular weight of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-?
The molecular weight of 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- is 310.05896 g/mol.
Where can I buy 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-?
You can request a quote for 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)-?
Yes, CoreyChem provides custom synthesis services for 1,4-Naphthalenedione, 2-hydroxy-3-((3-nitrophenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.