4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid
TL;DR: 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid (CAS 58473-41-9) is a chemical compound with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid
Also Known As: ANAB, Blue anthraquinone dye, 4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid, Benzoic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-, 4-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid
| Molecular Formula | C21H14N2O4 |
|---|---|
| Molecular Weight | 358.10 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.09537 |
| Heavy Atoms | 27 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 58473-41-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=C(C=C4)C(=O)O)N |
| InChIKey | FSQRTGQUTVRMNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid (CAS 58473-41-9), with molecular formula C21H14N2O4 and molecular weight 358.10 g/mol. IUPAC: 4-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid.
Chemical Property Profile of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid
Property Insights of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid
The XLogP value of 4.4 indicates that 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid. Following Lipinski's Rule of Five, 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid 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
Frequently Asked Questions
What is the CAS number of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid?
The CAS number of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid is 58473-41-9.
What is the molecular formula of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid?
The molecular formula of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid is C21H14N2O4.
What is the molecular weight of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid?
The molecular weight of 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid is 358.10 g/mol.
Where can I buy 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid?
You can request a quote for 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)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 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthryl)amino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.