TL;DR: 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) (CAS 36275-66-8) is a chemical compound with molecular formula C6Cl2Na2O4 and molecular weight 251.8969 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-diolate
Also Known As: Chloranilic Acid Sodium Salt, Sodium chloranilate, Disodium chloranilate, Chloranilic acid disodium salt, C6Cl2Na2O4
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C6Cl2Na2O4 |
| Molecular Weight | 251.8969 g/mol |
| XLogP | -7.23 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 251.8969 Da |
| Heavy Atoms | 14 |
| Complexity | 275.0 |
| SMILES | C1(=C(C(=O)C(=C(C1=O)Cl)[O-])Cl)[O-].[Na+].[Na+] |
| InChIKey | FITANBHHCLWRKG-UHFFFAOYSA-L |
The XLogP value of -7.23 indicates that 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2). Following Lipinski's Rule of Five, 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) is 36275-66-8.
The molecular formula of 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) is C6Cl2Na2O4.
The molecular weight of 2,5-Cyclohexadiene-1,4-dione, 2,5-dichloro-3,6-dihydroxy-, sodium salt (1:2) is 251.8969 g/mol.
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