2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate CAS 872211-87-5

Purity 97%+In StockPharmaceutical Standards
CAS No.872211-87-5
Molecular FormulaC20H19N3O3S2
Molecular Weight413.51 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate CAS 872211-87-5 chemical structure

Description

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.

CATO supplies 2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate (CAS 872211-87-5), a certified reference material (molecular formula C20H19N3O3S2, MW 413.51 g/mol) for analytical method development and quality control.

Structurally, 2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate (C20H19N3O3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 413.51 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC20H19N3O3S2
Molecular Weight413.51 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
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms3
Sulfur Atoms2

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