| CAS No. | 866051-07-2 |
| Molecular Formula | C15H15NO7S3 |
| Molecular Weight | 417.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
6-(Ethanesulfonyl)-4-(thiophene-2-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (CAS 866051-07-2), molecular formula C15H15NO7S3 and molecular weight 417.48 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 6-(Ethanesulfonyl)-4-(thiophene-2-sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid (C15H15NO7S3) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
| Molecular Formula | C15H15NO7S3 |
| Molecular Weight | 417.48 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 3 |