| CAS No. | 439112-16-0 |
| Molecular Formula | C15H13NO4S |
| Molecular Weight | 303.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-[4-(Thiophene-3-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (CAS 439112-16-0) is a high-purity analytical reference standard with the molecular formula C15H13NO4S and a molecular weight of 303.33 g/mol.
The molecular framework of 2-[4-(Thiophene-3-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic acid (C15H13NO4S) 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. 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).
As a certified reference material (CRM), 2-[4-(Thiophene-3-carbonyl)-3,4-dihydro-2H-1,4-benzoxazin-3-yl]acetic 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.
| Molecular Formula | C15H13NO4S |
| Molecular Weight | 303.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |