(2Z)-2-[(Z)-4-Chlorobenzoyl]-3-(methylsulfanyl)-3-{[(pyridin-4-yl)methyl]amino}prop-2-enenitrile CAS 866009-21-4

Purity 97%+In StockPharmaceutical Standards
CAS No.866009-21-4
Molecular FormulaC17H14ClN3OS
Molecular Weight343.83 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(2Z)-2-[(Z)-4-Chlorobenzoyl]-3-(methylsulfanyl)-3-{[(pyridin-4-yl)methyl]amino}prop-2-enenitrile CAS 866009-21-4 chemical structure

Description

The occurrence of (2Z)-2-[(Z)-4-Chlorobenzoyl]-3-(methylsulfanyl)-3-{[(pyridin-4-yl)methyl]amino}prop-2-enenitrile is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(2Z)-2-[(Z)-4-Chlorobenzoyl]-3-(methylsulfanyl)-3-{[(pyridin-4-yl)methyl]amino}prop-2-enenitrile (CAS 866009-21-4) is a high-purity analytical reference standard with the molecular formula C17H14ClN3OS and a molecular weight of 343.83 g/mol.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, (2Z)-2-[(Z)-4-Chlorobenzoyl]-3-(methylsulfanyl)-3-{[(pyridin-4-yl)methyl]amino}prop-2-enenitrile is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 343.83 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 FormulaC17H14ClN3OS
Molecular Weight343.83 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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