(4-Nitrophenyl)methylrel-(1r,4r)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate CAS 1638771-19-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1638771-19-3
Molecular FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4-Nitrophenyl)methylrel-(1r,4r)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate CAS 1638771-19-3 chemical structure

Description

The occurrence of (4-Nitrophenyl)methylrel-(1r,4r)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies (4-Nitrophenyl)methylrel-(1r,4r)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate (CAS 1638771-19-3), a certified reference material (molecular formula C13H12N2O5S, MW 308.31 g/mol) for analytical method development and quality control.

Structurally, (4-Nitrophenyl)methylrel-(1r,4r)-3-oxo-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylate (C13H12N2O5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 308.31 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

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 FormulaC13H12N2O5S
Molecular Weight308.31 g/mol
Purity97%+
StorageStore at 2-8°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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1993
Nitrogen Atoms2
Sulfur Atoms1

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