10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(4-methoxyphenyl)-4-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridecane-9,11-dione CAS 317820-40-9

Purity 97%+In StockPharmaceutical Standards
CAS No.317820-40-9
Molecular FormulaC26H26ClF3N4O4
Molecular Weight550.96 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(4-methoxyphenyl)-4-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridecane-9,11-dione CAS 317820-40-9 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 550.96 g/mol gives 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(4-methoxyphenyl)-4-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridecane-9,11-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(4-methoxyphenyl)-4-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridecane-9,11-dione (CAS 317820-40-9) is a high-purity analytical reference standard with the molecular formula C26H26ClF3N4O4 and a molecular weight of 550.96 g/mol.

Structurally, 10-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-5-(4-methoxyphenyl)-4-methyl-3-oxa-4,10-diazatetracyclo[5.5.1.0^{2,6}.0^{8,12}]tridecane-9,11-dione (C26H26ClF3N4O4) 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 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 550.96 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 FormulaC26H26ClF3N4O4
Molecular Weight550.96 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore in a cool place (≤25°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)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms4

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