10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide CAS 1418748-45-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1418748-45-4
Molecular FormulaC20H18BClF2N2O
Molecular Weight386.63 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide CAS 1418748-45-4 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 386.63 g/mol gives 10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (CAS 1418748-45-4), a certified reference material (molecular formula C20H18BClF2N2O, MW 386.63 g/mol) for analytical method development and quality control.

Structurally, 10-(4-Chlorophenyl)-5,5-difluoro-2-formyl-1,3,7,9-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-4-ium-5-uide (C20H18BClF2N2O) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.5, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 386.63 g/mol, it falls into the moderately-high-molecular-weight range. 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 FormulaC20H18BClF2N2O
Molecular Weight386.63 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
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)11.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentF/Cl-containing
Nitrogen Atoms2

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