TL;DR: 1,2,4,5,6,8-Hexahydroxyanthraquinone (CAS 61169-36-6) is a chemical compound with molecular formula C14H8O8 and molecular weight 304.0219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,4,5,6,8-hexahydroxyanthracene-9,10-dione
Also Known As: Mordant Blue 32, Anthracene Blue SWR, alizarin blue 2RC, ANTHRACENE BLUE, 1,2,4,5,6,8-Hexahydroxyanthracene-9,10-dione
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C14H8O8 |
| Molecular Weight | 304.0219 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 304.0219 Da |
| Heavy Atoms | 22 |
| Complexity | 449.0 |
| SMILES | C1=C(C2=C(C(=C1O)O)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O)O |
| InChIKey | MMRNCQMFQXTUGO-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4,5,6,8-Hexahydroxyanthraquinone. The TPSA of 156.0 Ų indicates high polarity, suggesting 1,2,4,5,6,8-Hexahydroxyanthraquinone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,2,4,5,6,8-Hexahydroxyanthraquinone has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2,4,5,6,8-Hexahydroxyanthraquinone is 61169-36-6.
The molecular formula of 1,2,4,5,6,8-Hexahydroxyanthraquinone is C14H8O8.
The molecular weight of 1,2,4,5,6,8-Hexahydroxyanthraquinone is 304.0219 g/mol.
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