5-(4-Iodobenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline CAS 861207-33-2

Purity 97%+In StockPharmaceutical Standards
CAS No.861207-33-2
Molecular FormulaC18H16F3IN2O2S
Molecular Weight508.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

5-(4-Iodobenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline CAS 861207-33-2 chemical structure

Description

The occurrence of 5-(4-Iodobenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/iodine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

5-(4-Iodobenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline (CAS 861207-33-2), molecular formula C18H16F3IN2O2S and molecular weight 508.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, 5-(4-Iodobenzenesulfonyl)-8-(trifluoromethyl)-1H,2H,3H,3aH,4H,5H-pyrrolo[1,2-a]quinoxaline (C18H16F3IN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/iodine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 508.30 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.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

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 FormulaC18H16F3IN2O2S
Molecular Weight508.30 g/mol
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)10.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/I-containing
Nitrogen Atoms2
Sulfur Atoms1

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