N-[(E)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-methoxyaniline CAS 478048-55-4

Purity 97%+In StockPharmaceutical Standards
CAS No.478048-55-4
Molecular FormulaC20H17ClN2O3S
Molecular Weight400.88 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-[(E)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-methoxyaniline CAS 478048-55-4 chemical structure

Description

The occurrence of N-[(E)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-methoxyaniline is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

N-[(E)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-methoxyaniline (CAS 478048-55-4) is a high-purity analytical reference standard with the molecular formula C20H17ClN2O3S and a molecular weight of 400.88 g/mol.

Structurally, N-[(E)-2-(Benzenesulfonyl)-2-(6-chloropyridin-3-yl)ethenyl]-4-methoxyaniline (C20H17ClN2O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. 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 400.88 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC20H17ClN2O3S
Molecular Weight400.88 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)13.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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