TL;DR: 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- (CAS 88653-15-0) is a chemical compound with molecular formula C21H16N2O3 and molecular weight 344.1161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-4-(3-methoxyanilino)anthracene-9,10-dione
Also Known As: 1-amino-4-[ amino]anthraquinone, 1-amino-4-(3-methoxyanilino)anthracene-9,10-dione, 1-Amino-4-((3-methoxyphenyl)amino)anthraquinone, 1-Amino-4-((methoxyphenyl)amino)anthraquinone, 1-amino-4-((3-methoxyphenyl)amino)anthracene-9,10-dione
| Molecular Formula | C21H16N2O3 |
| Molecular Weight | 344.1161 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 81.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 344.1161 Da |
| Heavy Atoms | 26 |
| Complexity | 551.0 |
| SMILES | COC1=CC=CC(=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O |
| InChIKey | UNQABTJUSVYLOV-UHFFFAOYSA-N |
The XLogP value of 4.8 indicates that 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- is 88653-15-0.
The molecular formula of 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- is C21H16N2O3.
The molecular weight of 9,10-Anthracenedione, 1-amino-4-[(methoxyphenyl)amino]- is 344.1161 g/mol.
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