2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)-1-hydroxythioureido)propyl pivalate CAS 681810-30-0

Purity 97%+In StockPharmaceutical Standards
CAS No.681810-30-0
Molecular FormulaC26H36FN3O5S2
Molecular Weight553.71 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)-1-hydroxythioureido)propyl pivalate CAS 681810-30-0 chemical structure

Description

The molecular framework of 2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)-1-hydroxythioureido)propyl pivalate (C26H36FN3O5S2) is characterized by a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing 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).

2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)-1-hydroxythioureido)propyl pivalate (CAS 681810-30-0) is a high-purity analytical reference standard with the molecular formula C26H36FN3O5S2 and a molecular weight of 553.71 g/mol.

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.

As a certified reference material (CRM), 2-(3,4-Dimethylbenzyl)-3-(3-(3-fluoro-4-(methylsulfonamido)benzyl)-1-hydroxythioureido)propyl pivalate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC26H36FN3O5S2
Molecular Weight553.71 g/mol
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Halogen ContentF-containing
Nitrogen Atoms3
Sulfur Atoms2

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