TL;DR: Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) (CAS 62625-16-5) is a chemical compound with molecular formula C20H13K3O11S2 and molecular weight 609.88104 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tripotassium;2-[hydroxy-bis(4-sulfonatooxyphenyl)methyl]benzoate
Also Known As: Phenolphthalein Disulfate Potassium Salt, 6539AF, PHENOLPHTHALEIN DISULFATE POTA, 1-(2-Chloro-acetyl)-3-propyl-urea, Phenolphthalein disulfate potassium salt hydrate
| Molecular Formula | C20H13K3O11S2 |
| Molecular Weight | 609.88104 g/mol |
| XLogP | -8.98 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 609.88104 Da |
| Heavy Atoms | 36 |
| Complexity | 788.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)[O-])C(C2=CC=C(C=C2)OS(=O)(=O)[O-])(C3=CC=C(C=C3)OS(=O)(=O)[O-])O.[K+].[K+].[K+] |
| InChIKey | PLHSVCWOEHYSHO-UHFFFAOYSA-K |
The XLogP value of -8.98 indicates that Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is 62625-16-5.
The molecular formula of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is C20H13K3O11S2.
The molecular weight of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is 609.88104 g/mol.
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