TL;DR: Diosquinone (CAS 50886-69-6) is a chemical compound with molecular formula C22H14O7 and molecular weight 390.07394 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-hydroxy-4-(5-hydroxy-7-methyl-1,4-dioxonaphthalen-2-yl)-5-methyl-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
Also Known As: Diosquinone, Batacanone, DIOSQUINONE & BATACANONE, NCI60_003044, SID:440962807
| Molecular Formula | C22H14O7 |
| Molecular Weight | 390.07394 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 390.07394 Da |
| Heavy Atoms | 29 |
| Complexity | 844.0 |
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C=C(C2=O)C3=C(C4=C(C=C3C)C(=O)C5C(C4=O)O5)O |
| InChIKey | AVBFKEHAFCGOKT-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that Diosquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diosquinone. Following Lipinski's Rule of Five, Diosquinone has 2 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 Diosquinone is 50886-69-6.
The molecular formula of Diosquinone is C22H14O7.
The molecular weight of Diosquinone is 390.07394 g/mol.
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