Sodium 7-(((1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)deca-3,5-dien-2-yl)thio)-4-oxo-4H-chromene-2-carboxylate CAS 125617-94-9

Purity 97%+In StockPharmaceutical Standards
CAS No.125617-94-9
Molecular FormulaC38H36F3O8S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Sodium 7-(((1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)deca-3,5-dien-2-yl)thio)-4-oxo-4H-chromene-2-carboxylate CAS 125617-94-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 732.74 g/mol gives Sodium 7-(((1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)deca-3,5-dien-2-yl)thio)-4-oxo-4H-chromene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Sodium 7-(((1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)deca-3,5-dien-2-yl)thio)-4-oxo-4H-chromene-2-carboxylate (CAS 125617-94-9), molecular formula C38H36F3O8SNa and molecular weight 732.74 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of Sodium 7-(((1R,2S,3E,5Z)-10-(4-acetyl-3-hydroxy-2-propylphenoxy)-1-hydroxy-1-(3-(trifluoromethyl)phenyl)deca-3,5-dien-2-yl)thio)-4-oxo-4H-chromene-2-carboxylate (C38H36F3O8SNa) is characterized by a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, a polycyclic aromatic system. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC38H36F3O8S Na
Molecular Weight732.74 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)19.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1992
Halogen ContentF-containing
Sulfur Atoms1

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