1,1,1-trifluoro-N-[(11bR)-4-sulfido-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-methanesulfonamide CAS 1239466-16-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1239466-16-0
Molecular FormulaC51H57F3NO4PS2
Molecular Weight900.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1,1,1-trifluoro-N-[(11bR)-4-sulfido-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-methanesulfonamide CAS 1239466-16-0 chemical structure

Description

The occurrence of 1,1,1-trifluoro-N-[(11bR)-4-sulfido-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-methanesulfonamide is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1,1,1-trifluoro-N-[(11bR)-4-sulfido-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-methanesulfonamide (CAS 1239466-16-0) is a high-purity analytical reference standard with the molecular formula C51H57F3NO4PS2 and a molecular weight of 900.10 g/mol.

Based on its molecular formula C51H57F3NO4PS2, 1,1,1-trifluoro-N-[(11bR)-4-sulfido-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-methanesulfonamide contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a phosphate ester group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 900.10 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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 FormulaC51H57F3NO4PS2
Molecular Weight900.10 g/mol
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
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)22.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Halogen ContentF-containing
Nitrogen Atoms1
Sulfur Atoms2

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