2-((2-Oxo-2-(3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)ethyl)thio)benzoic acid CAS 721406-63-9
| CAS No. | 721406-63-9 |
| Molecular Formula | C17H13NO5S |
| Molecular Weight | 343.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
2-((2-Oxo-2-(3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)ethyl)thio)benzoic acid (CAS 721406-63-9) is a high-purity analytical reference standard with the molecular formula C17H13NO5S and a molecular weight of 343.35 g/mol.
Structurally, 2-((2-Oxo-2-(3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)ethyl)thio)benzoic acid (C17H13NO5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 343.35 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.
CATO manufactures 2-((2-Oxo-2-(3-oxo-3,4-dihydro-2h-benzo[b][1,4]oxazin-6-yl)ethyl)thio)benzoic acid under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C17H13NO5S |
| Molecular Weight | 343.35 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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