2-Anthraquinonecarboxylic acid
TL;DR: 2-Anthraquinonecarboxylic acid (CAS 117-78-2) is a chemical compound with molecular formula C15H8O4 and molecular weight 252.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10-dioxoanthracene-2-carboxylic acid
Also Known As: Anthraquinone-2-carboxylic acid, 2-Carboxyanthraquinone, 2-Anthraquinonecarboxylic acid, 9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 9,10-Dioxoanthracene-2-carboxylic acid
| Molecular Formula | C15H8O4 |
|---|---|
| Molecular Weight | 252.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 252.04225 |
| Heavy Atoms | 19 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 117-78-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)C(=O)O |
| InChIKey | ASDLSKCKYGVMAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Anthraquinonecarboxylic acid (CAS 117-78-2), with molecular formula C15H8O4 and molecular weight 252.04 g/mol. IUPAC: 9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 2-Anthraquinonecarboxylic acid
Property Insights of 2-Anthraquinonecarboxylic acid
The XLogP value of 3.0 indicates that 2-Anthraquinonecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Anthraquinonecarboxylic acid. Following Lipinski's Rule of Five, 2-Anthraquinonecarboxylic acid has 1 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-Anthraquinonecarboxylic acid?
The CAS number of 2-Anthraquinonecarboxylic acid is 117-78-2.
What is the molecular formula of 2-Anthraquinonecarboxylic acid?
The molecular formula of 2-Anthraquinonecarboxylic acid is C15H8O4.
What is the molecular weight of 2-Anthraquinonecarboxylic acid?
The molecular weight of 2-Anthraquinonecarboxylic acid is 252.04 g/mol.
Where can I buy 2-Anthraquinonecarboxylic acid?
You can request a quote for 2-Anthraquinonecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anthraquinonecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Anthraquinonecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.