N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide CAS 593238-53-0
| CAS No. | 593238-53-0 |
| Molecular Formula | C21H13ClFN3O3S |
| Molecular Weight | 441.86 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide (CAS 593238-53-0), a certified reference material (molecular formula C21H13ClFN3O3S, MW 441.86 g/mol) for analytical method development and quality control.
Structurally, N-((3-(Benzo[d]oxazol-2-yl)-4-hydroxyphenyl)carbamothioyl)-2-chloro-4-fluorobenzamide (C21H13ClFN3O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 441.86 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
Physical & Chemical Properties
| Molecular Formula | C21H13ClFN3O3S |
| Molecular Weight | 441.86 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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