TL;DR: 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione (CAS 158526-26-2) is a chemical compound with molecular formula C10H4Cl2O5 and molecular weight 273.94357 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6,7-dichloro-4,5,8-trihydroxynaphthalene-1,2-dione
Also Known As: 6,7-dichloro-2-hydroxynaphthazarin, J1.196.399D, 2,5,8-trihydroxy-6,7-dichloro-1,4-naphthoquinone, 6,7-Dichloro-2,5,8-trihydroxy-1,4-naphthoquinone, 6,7-dichloro-4,5,8-trihydroxynaphthalene-1,2-dione
| Molecular Formula | C10H4Cl2O5 |
| Molecular Weight | 273.94357 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 273.94357 Da |
| Heavy Atoms | 17 |
| Complexity | 408.0 |
| SMILES | C1=C(C2=C(C(=C(C(=C2O)Cl)Cl)O)C(=O)C1=O)O |
| InChIKey | NKHZXTGJCDDRNC-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione. Following Lipinski's Rule of Five, 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione is 158526-26-2.
The molecular formula of 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione is C10H4Cl2O5.
The molecular weight of 2,3-Dichloro-5,6,8-trihydroxynaphthalene-1,4-dione is 273.94357 g/mol.
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