2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid CAS 959574-95-9

Purity 97%+In StockPharmaceutical Standards
CAS No.959574-95-9
Molecular FormulaC26H22N2O6
Molecular Weight458.46 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid CAS 959574-95-9 chemical structure

Description

The occurrence of 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

CATO supplies 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid (CAS 959574-95-9), a certified reference material (molecular formula C26H22N2O6, MW 458.46 g/mol) for analytical method development and quality control.

The molecular framework of 2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl]acetic acid (C26H22N2O6) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage. 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. 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.

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 FormulaC26H22N2O6
Molecular Weight458.46 g/mol
AppearancePale yellow to yellow crystalline powder
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)17.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2

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