(S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide CAS 155512-49-5

Purity 97%+In StockPharmaceutical Standards
CAS No.155512-49-5
Molecular FormulaC22H23Cl2N3OS
Molecular Weight448.41 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide CAS 155512-49-5 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 448.41 g/mol gives (S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

(S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide (CAS 155512-49-5) is a high-purity analytical reference standard with the molecular formula C22H23Cl2N3OS and a molecular weight of 448.41 g/mol.

Owing to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution, (S)-2-(3,4-Dichlorophenyl)-N-(1-(3-isothiocyanatophenyl)-2-(pyrrolidin-1-yl)ethyl)-N-methylacetamide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 448.41 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC22H23Cl2N3OS
Molecular Weight448.41 g/mol
Purity97%+
StorageStore at room temperature, 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.)2001
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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