3-(2-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)-1,3-dihydro-2-benzofuran-1-one CAS 861206-52-2

Purity 97%+In StockPharmaceutical Standards
CAS No.861206-52-2
Molecular FormulaC28H20N2O4
Molecular Weight448.47 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-(2-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)-1,3-dihydro-2-benzofuran-1-one CAS 861206-52-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 448.47 g/mol gives 3-(2-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)-1,3-dihydro-2-benzofuran-1-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 3-(2-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)-1,3-dihydro-2-benzofuran-1-one (CAS 861206-52-2), a certified reference material (molecular formula C28H20N2O4, MW 448.47 g/mol) for analytical method development and quality control.

Structurally, 3-(2-{[(1Z)-3-oxo-1,3-dihydro-2-benzofuran-1-ylidene]methyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)-1,3-dihydro-2-benzofuran-1-one (C28H20N2O4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 448.47 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.

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 FormulaC28H20N2O4
Molecular Weight448.47 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)20.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2

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