1-[5-(4-Isopropylphenyl)-4-methyl-1,1-dioxido-isothiazol-3-yl]-1,4-diazepane hydrochloride CAS 1417567-91-9

Purity 97%+In StockPharmaceutical Standards
CAS No.1417567-91-9
Molecular FormulaC18H25N3O2S
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-[5-(4-Isopropylphenyl)-4-methyl-1,1-dioxido-isothiazol-3-yl]-1,4-diazepane hydrochloride CAS 1417567-91-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 383.94 g/mol gives 1-[5-(4-Isopropylphenyl)-4-methyl-1,1-dioxido-isothiazol-3-yl]-1,4-diazepane hydrochloride distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

CATO supplies 1-[5-(4-Isopropylphenyl)-4-methyl-1,1-dioxido-isothiazol-3-yl]-1,4-diazepane hydrochloride (CAS 1417567-91-9), a certified reference material (molecular formula C18H25N3O2SHCl, MW 383.94 g/mol) for analytical method development and quality control.

Structurally, 1-[5-(4-Isopropylphenyl)-4-methyl-1,1-dioxido-isothiazol-3-yl]-1,4-diazepane hydrochloride (C18H25N3O2SHCl) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 383.94 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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 FormulaC18H25N3O2S HCl
Molecular Weight383.94 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentCl-containing
Nitrogen Atoms3
Sulfur Atoms1

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