261947-38-0 5KK52HG8DY CP-532623 UNII-5KK52HG8DY 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester CAS 261947-38-0

Purity 97%+In StockPharmaceutical Standards
CAS No.261947-38-0
Molecular FormulaC27H27F9N2O3
Molecular Weight598.50 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

261947-38-0 5KK52HG8DY CP-532623 UNII-5KK52HG8DY 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester CAS 261947-38-0 chemical structure

Description

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.

261947-38-0 5KK52HG8DY CP-532623 UNII-5KK52HG8DY 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester (CAS 261947-38-0), molecular formula C27H27F9N2O3 and molecular weight 598.50 g/mol, is a CATO reference standard with documented purity and traceability.

261947-38-0 5KK52HG8DY CP-532623 UNII-5KK52HG8DY 1(2H)-Quinolinecarboxylic acid, 4-(acetyl((3,5-bis(trifluoromethyl)phenyl)methyl)amino)-2-ethyl-3,4-dihydro-6-(trifluoromethyl)-, 1-methylethyl ester, (2R,4S)- (2R,4S)-4-(Acetyl(3,5-bis(trifluoromethyl)benzyl)amino)-2-ethyl-6-trifluoromethyl-3,4-dihydro-2H-quinoline-1-carboxylic acid isopropyl ester (C27H27F9N2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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.

Physical & Chemical Properties

Molecular FormulaC27H27F9N2O3
Molecular Weight598.50 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms2

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