Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-
TL;DR: Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- (CAS 15609-81-1) is a chemical compound with molecular formula C17H11NO5 and molecular weight 309.06372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)amino]benzoic acid
Also Known As: 1,4-Naphthoquinone der., 3-[(1-hydroxy-3,4-dioxonaphthalen-2-yl)amino]benzoic acid, 3-[(1-hydroxy-3,4-dioxo-2-naphthyl)amino]benzoic acid, Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-, 3-[(3-hydroxy-1,4-dioxo-2-naphthyl)amino]benzoic acid
Technical Specifications
| Molecular Formula | C17H11NO5 |
| Molecular Weight | 309.06372 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 309.06372 Da |
| Heavy Atoms | 23 |
| Complexity | 567.0 |
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)NC3=CC=CC(=C3)C(=O)O)O |
| InChIKey | YPGDBZXOFSXXIA-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-
Property Insights of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- has 3 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 Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-?
The CAS number of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- is 15609-81-1.
What is the molecular formula of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular formula of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- is C17H11NO5.
What is the molecular weight of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-?
The molecular weight of Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- is 309.06372 g/mol.
Where can I buy Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-?
You can request a quote for Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-((1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.