TL;DR: 1-Amino-2-ethoxymethyl-9,10-anthracenedione (CAS 56594-28-6) is a chemical compound with molecular formula C17H15NO3 and molecular weight 281.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-amino-2-(ethoxymethyl)anthracene-9,10-dione
Also Known As: 1-AMINO-2-ETHOXYMETHYL-9,10-ANTHRACENEDIONE, 1-amino-2-(ethoxymethyl)anthracene-9,10-dione, J1.619.258I, 1-Amino-2-(ethoxymethyl)-9,10-anthracenedione, 1-amino-2-(ethoxymethyl)-9,10-dihydroanthracene-9,10-dione
| Molecular Formula | C17H15NO3 |
| Molecular Weight | 281.1052 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.1052 Da |
| Heavy Atoms | 21 |
| Complexity | 422.0 |
| SMILES | CCOCC1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)N |
| InChIKey | KZJJMZBMTCQTTN-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Amino-2-ethoxymethyl-9,10-anthracenedione. The TPSA of 69.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Amino-2-ethoxymethyl-9,10-anthracenedione. Following Lipinski's Rule of Five, 1-Amino-2-ethoxymethyl-9,10-anthracenedione has 1 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 1-Amino-2-ethoxymethyl-9,10-anthracenedione is 56594-28-6.
The molecular formula of 1-Amino-2-ethoxymethyl-9,10-anthracenedione is C17H15NO3.
The molecular weight of 1-Amino-2-ethoxymethyl-9,10-anthracenedione is 281.1052 g/mol.
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