TL;DR: 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- (CAS 15114-15-5) is a chemical compound with molecular formula C22H18N2O5 and molecular weight 390.12158 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
Also Known As: 4-Dimethyl-L-glutamic Acid, KST-1B0652, 1,5-Diamino-4,8-dihydroxy-3-(4-ethoxyphenyl)anthraquinone, 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy-, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxyanthracene-9,10-dione
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H18N2O5 |
| Molecular Weight | 390.12158 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.12158 Da |
| Heavy Atoms | 29 |
| Complexity | 635.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=CC(=C3C(=C2O)C(=O)C4=C(C=CC(=C4C3=O)O)N)N |
| InChIKey | YYBSEGBOVVQCAU-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy-. Following Lipinski's Rule of Five, 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- is 15114-15-5.
The molecular formula of 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- is C22H18N2O5.
The molecular weight of 9,10-Anthracenedione, 4,8-diamino-2-(4-ethoxyphenyl)-1,5-dihydroxy- is 390.12158 g/mol.
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