Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
TL;DR: Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- (CAS 58473-42-0) is a chemical compound with molecular formula C21H14N2O4 and molecular weight 358.09537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid
Also Known As: 3-[ AMINO]BENZOICACID, Benzoic acid, 3-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-, 3-[(4-amino-9,10-dioxo-9,10-dihydroanthracen-1-yl)amino]benzoic acid, 3-[(4-amino-9,10-dioxoanthracen-1-yl)amino]benzoic acid, 3-((4-Amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)benzoic acid
Technical Specifications
| Molecular Formula | C21H14N2O4 |
| Molecular Weight | 358.09537 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.09537 Da |
| Heavy Atoms | 27 |
| Complexity | 621.0 |
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)NC4=CC=CC(=C4)C(=O)O)N |
| InChIKey | HWSFYZXHGYNGMS-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
Property Insights of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-
The XLogP value of 4.4 indicates that Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- 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 Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-. Following Lipinski's Rule of Five, Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)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-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-?
The CAS number of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- is 58473-42-0.
What is the molecular formula of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-?
The molecular formula of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- is C21H14N2O4.
What is the molecular weight of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-?
The molecular weight of Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- is 358.09537 g/mol.
Where can I buy Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-?
You can request a quote for Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 3-((4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.