Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate CAS 84538-85-2

Purity 97%+In StockPharmaceutical Standards
CAS No.84538-85-2
Molecular FormulaC17H19NO2S
Molecular Weight301.40 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate CAS 84538-85-2 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 301.40 g/mol gives Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate (CAS 84538-85-2), a certified reference material (molecular formula C17H19NO2S, MW 301.40 g/mol) for analytical method development and quality control.

Structurally, Ethyl 3-amino-3-phenyl-2,3,3a,4-tetrahydrobenzo[b]thiophene-2-carboxylate (C17H19NO2S) 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 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 301.40 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 FormulaC17H19NO2S
Molecular Weight301.40 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1981
Nitrogen Atoms1
Sulfur Atoms1

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