1245626-05-4 5-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide DTXSID70677329 CAS 1245626-05-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1245626-05-4
Molecular FormulaC26H23Cl2N5O3S
Molecular Weight556.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1245626-05-4 5-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide DTXSID70677329 CAS 1245626-05-4 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.

CATO supplies 1245626-05-4 5-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide DTXSID70677329 (CAS 1245626-05-4), a certified reference material (molecular formula C26H23Cl2N5O3S, MW 556.46 g/mol) for analytical method development and quality control.

Structurally, 1245626-05-4 5-[4-(4-Cyanobut-1-yn-1-yl)phenyl]-1-(2,4-dichlorophenyl)-N-(1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)-4-methyl-1H-pyrazole-3-carboxamide DTXSID70677329 (C26H23Cl2N5O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 556.46 g/mol, it falls into the moderately-high-molecular-weight range. 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.

Physical & Chemical Properties

Molecular FormulaC26H23Cl2N5O3S
Molecular Weight556.46 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)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms1

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