3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid CAS 1807791-77-0

Purity 97%+In StockPharmaceutical Standards
CAS No.1807791-77-0
Molecular FormulaC27H38ClF6NO5S
Molecular Weight638.10 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid CAS 1807791-77-0 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 638.10 g/mol gives 3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid (CAS 1807791-77-0) is a high-purity analytical reference standard with the molecular formula C27H38ClF6NO5S and a molecular weight of 638.10 g/mol.

3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid (C27H38ClF6NO5S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.

As a certified reference material (CRM), 3-[(2S)-6-[(E)-2-[2-chloro-6-(trifluoromethyl)phenyl]vinyl]-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazin-2-yl]propanoic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC27H38ClF6NO5S
Molecular Weight638.10 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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1995
Halogen ContentF/Cl-containing
Nitrogen Atoms1
Sulfur Atoms1

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