N-(2-((4-Bromophenyl)thio)-1,2-diphenylethyl)-N-(cyclohexylmethyl)-2,6-diiododinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine CAS 2012563-50-5

Purity 97%+In StockPharmaceutical Standards
CAS No.2012563-50-5
Molecular FormulaC47H39BrI2NO2PS
Molecular Weight1046.57 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

N-(2-((4-Bromophenyl)thio)-1,2-diphenylethyl)-N-(cyclohexylmethyl)-2,6-diiododinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine CAS 2012563-50-5 chemical structure

Description

The occurrence of N-(2-((4-Bromophenyl)thio)-1,2-diphenylethyl)-N-(cyclohexylmethyl)-2,6-diiododinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, organophosphorus functionality, a hydroxyl group, an ether linkage, bromine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

N-(2-((4-Bromophenyl)thio)-1,2-diphenylethyl)-N-(cyclohexylmethyl)-2,6-diiododinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine (CAS 2012563-50-5), molecular formula C47H39BrI2NO2PS and molecular weight 1046.57 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of N-(2-((4-Bromophenyl)thio)-1,2-diphenylethyl)-N-(cyclohexylmethyl)-2,6-diiododinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine (C47H39BrI2NO2PS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, organophosphorus functionality, a hydroxyl group, an ether linkage, bromine/iodine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC47H39BrI2NO2PS
Molecular Weight1046.57 g/mol
Purity97%+
StorageStore at room temperature, 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; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)27.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1996
Halogen ContentBr/I-containing
Nitrogen Atoms1
Sulfur Atoms1

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