TL;DR: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- (CAS 100922-65-4) is a chemical compound with molecular formula C26H26O9 and molecular weight 482.15768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-acetyl-6,9,11-trihydroxy-4-methoxy-7-[3-(oxiran-2-yl)propoxy]-8,10-dihydro-7H-tetracene-5,12-dione
Also Known As: 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy-, 9-acetyl-6,9,11-trihydroxy-4-methoxy-7-[3-(oxiran-2-yl)propoxy]-8,10-dihydro-7H-tetracene-5,12-dione, 5,12-Naphthacenedione,7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy, 8-Acetyl-6,8,11-trihydroxy-1-methoxy-10-[3-(oxiran-2-yl)propoxy]-7,8,9,10-tetrahydrotetracene-5,12-dione
| Molecular Formula | C26H26O9 |
| Molecular Weight | 482.15768 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.15768 Da |
| Heavy Atoms | 35 |
| Complexity | 860.0 |
| SMILES | CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=C(C3=O)C=CC=C4OC)O)OCCCC5CO5)O |
| InChIKey | HKWKZNOKEPAVMF-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 143.0 Ų indicates high polarity, suggesting 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- is 100922-65-4.
The molecular formula of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- is C26H26O9.
The molecular weight of 5,12-Naphthacenedione, 7,8,9,10-tetrahydro-8-acetyl-1-methoxy-10-(3-oxiranylpropoxy)-6,8,11-trihydroxy- is 482.15768 g/mol.
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