TL;DR: 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- (CAS 55990-21-1) is a chemical compound with molecular formula C15H10Cl2N2O2 and molecular weight 320.01193 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-2,3-dichloro-4-(methylamino)anthracene-9,10-dione
Also Known As: 2,3-Dichloro-1-(methylamino)-4-aminoanthraquinone, N-(3-Amino-benzolsulfonyl)-anthranilsaeure, 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)-, 1-amino-2,3-dichloro-4-(methylamino)anthracene-9,10-dione, 1,6-dimethyl-3-phenyl-5-piperidin-1-ylpyrimidine-2,4-dione
| Molecular Formula | C15H10Cl2N2O2 |
| Molecular Weight | 320.01193 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 72.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 320.01193 Da |
| Heavy Atoms | 21 |
| Complexity | 459.0 |
| SMILES | CNC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Cl)Cl |
| InChIKey | JJCGKOMDEFIBJK-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- is 55990-21-1.
The molecular formula of 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- is C15H10Cl2N2O2.
The molecular weight of 9,10-Anthracenedione, 1-amino-2,3-dichloro-4-(methylamino)- is 320.01193 g/mol.
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