TL;DR: 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- (CAS 68213-94-5) is a chemical compound with molecular formula C20H12Br2N2O4 and molecular weight 501.91638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-8-(2,4-dibromoanilino)-4,5-dihydroxyanthracene-9,10-dione
Also Known As: 1-Amino-8-(2,4-dibromoanilino)-4,5-dihydroxyanthraquinone, 1-amino-8-[ amino]-4,5-dihydroxyanthraquinone, 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy-, 9,10-Anthracenedione, 1-amino-8-((2,4-dibromophenyl)amino)-4,5-dihydroxy-, 1-amino-8-(2,4-dibromoanilino)-4,5-dihydroxyanthracene-9,10-dione
| Molecular Formula | C20H12Br2N2O4 |
| Molecular Weight | 501.91638 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 113.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 503.91434 Da |
| Heavy Atoms | 28 |
| Complexity | 635.0 |
| SMILES | C1=CC(=C(C=C1Br)Br)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)N)O |
| InChIKey | BSAIZSQXJWMWFM-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- is 68213-94-5.
The molecular formula of 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- is C20H12Br2N2O4.
The molecular weight of 9,10-Anthracenedione, 1-amino-8-[(2,4-dibromophenyl)amino]-4,5-dihydroxy- is 501.91638 g/mol.
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