![3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid structure](/static/products/2786/27867-73-8.webp)
3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid
TL;DR: 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid (CAS 27867-73-8) is a chemical compound with molecular formula C17H11NO4 and molecular weight 293.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3,4-dioxonaphthalen-1-yl)amino]benzoic acid
Also Known As: 3-[(3,4-dioxonaphthalen-1-yl)amino]benzoic acid, 3-[(3,4-dioxo-1-naphthyl)amino]benzoic acid, 3-[(3,4-dioxo-3,4-dihydronaphthalen-1-yl)amino]benzoic acid, Benzoic acid,3-[(3,4-dihydro-3,4-dioxo-1-naphthalenyl)amino]-, 3-Quinolineethanol, .alpha.-[2-(dimethylamino)ethyl]-2-methoxy-.alpha.-1-naphthalenyl-.beta.,6-diphenyl-
| Molecular Formula | C17H11NO4 |
|---|---|
| Molecular Weight | 293.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.06882 |
| Heavy Atoms | 22 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 27867-73-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CC=CC(=C3)C(=O)O |
| InChIKey | WYIZNABLHZTYJV-UHFFFAOYSA-N |
Product Overview
3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid (CAS 27867-73-8), with molecular formula C17H11NO4 and molecular weight 293.07 g/mol. IUPAC: 3-[(3,4-dioxonaphthalen-1-yl)amino]benzoic acid.
Chemical Property Profile of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid
Property Insights of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 5 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 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid?
The CAS number of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid is 27867-73-8.
What is the molecular formula of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid?
The molecular formula of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid is C17H11NO4.
What is the molecular weight of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid?
The molecular weight of 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid is 293.07 g/mol.
Where can I buy 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid?
You can request a quote for 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(3,4-Dioxonaphthalen-1-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.