1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid
TL;DR: 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid (CAS 113749-78-3) is a chemical compound with molecular formula C23H17NO5 and molecular weight 387.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-ethoxyanilino)-9,10-dioxoanthracene-2-carboxylic acid
Also Known As: 1-(4-ethoxyanilino)-2-anthraquinonecarboxylic acid, 1-(4-ethoxyanilino)-9,10-dioxoanthracene-2-carboxylic acid, 1-[(4-ethoxyphenyl)amino]-9,10-dioxo-anthracene-2-carboxylic Acid, 1-((4-Ethoxyphenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid, 1-((4-Ethoxyphenyl)amino)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylicacid
| Molecular Formula | C23H17NO5 |
|---|---|
| Molecular Weight | 387.11 g/mol |
| LogP | 4.3025 |
| Topological Polar Surface Area | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.1107 |
| Heavy Atoms | 29 |
| Complexity | 1148.4298 |
Chemical Identifiers
| CAS Number | 113749-78-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC2=C(C=CC3=C2C(=O)C4=CC=CC=C4C3=O)C(=O)O |
Product Overview
1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid (CAS 113749-78-3), with molecular formula C23H17NO5 and molecular weight 387.11 g/mol. IUPAC: 1-(4-ethoxyanilino)-9,10-dioxoanthracene-2-carboxylic acid.
Chemical Property Profile of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid
Property Insights of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid
The XLogP value of 4.3025 indicates that 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid. Following Lipinski's Rule of Five, 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic 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 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid?
The CAS number of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid is 113749-78-3.
What is the molecular formula of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid?
The molecular formula of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid is C23H17NO5.
What is the molecular weight of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid?
The molecular weight of 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid is 387.11 g/mol.
Where can I buy 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid?
You can request a quote for 1-(4-Ethoxyanilino)-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 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Ethoxyanilino)-2-anthraquinonecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.