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Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) structure
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Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)

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

CAS Number
62625-16-5
Molecular Formula
C20H13K3O11S2
Molecular Weight
609.88104 g/mol
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Technical Specifications

Molecular FormulaC20H13K3O11S2
Molecular Weight609.88104 g/mol
XLogP-8.98
Topological Polar Surface Area (TPSA)210.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors11
Rotatable Bonds5
Exact Mass609.88104 Da
Heavy Atoms36
Complexity788.0
SMILESC1=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+]
InChIKeyPLHSVCWOEHYSHO-UHFFFAOYSA-K

Chemical Property Profile of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)

XLogP
-8.98
TPSA (Topological Polar Surface Area)
210.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
11
Rotatable Bonds
5
Heavy Atoms
36
Complexity
788.0
Exact Mass
609.88104
Monoisotopic Mass
609.88104
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)

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.

Frequently Asked Questions

What is the CAS number of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)?

The CAS number of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is 62625-16-5.

What is the molecular formula of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)?

The molecular formula of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is C20H13K3O11S2.

What is the molecular weight of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)?

The molecular weight of Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) is 609.88104 g/mol.

Where can I buy Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)?

You can request a quote for Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3)?

Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-[hydroxybis[4-(sulfooxy)phenyl]methyl]-, potassium salt (1:3) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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