TL;DR: 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone (CAS 102822-05-9) is a chemical compound with molecular formula C14H4F4O4 and molecular weight 312.00458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,2,3,4-tetrafluoro-5,8-dihydroxyanthracene-9,10-dione
Also Known As: 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone, 1,2,3,4-tetrafluoro-5,8-dihydroxyanthracene-9,10-dione, 5,6,7,8-tetrafluoroquinizarin, J1.146.113A, I08-1053
| Molecular Formula | C14H4F4O4 |
| Molecular Weight | 312.00458 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 312.00458 Da |
| Heavy Atoms | 22 |
| Complexity | 457.0 |
| SMILES | C1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C(=C(C(=C3F)F)F)F)O |
| InChIKey | PKJLMPNJHMHOIE-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone. Following Lipinski's Rule of Five, 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone is 102822-05-9.
The molecular formula of 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone is C14H4F4O4.
The molecular weight of 1,2,3,4-Tetrafluoro-5,8-dihydroxyanthraquinone is 312.00458 g/mol.
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