Ethyl 7-(N-acetylacetamido)-2-(4-chlorobenzamido)benzo[b]thiophene-3-carboxylate CAS 333774-41-7
| CAS No. | 333774-41-7 |
| Molecular Formula | C22H19ClN2O5S |
| Molecular Weight | 458.91 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.
Ethyl 7-(N-acetylacetamido)-2-(4-chlorobenzamido)benzo[b]thiophene-3-carboxylate (CAS 333774-41-7), molecular formula C22H19ClN2O5S and molecular weight 458.91 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 7-(N-acetylacetamido)-2-(4-chlorobenzamido)benzo[b]thiophene-3-carboxylate (C22H19ClN2O5S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 458.91 g/mol, it falls into the moderately-high-molecular-weight range. 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.
Physical & Chemical Properties
| Molecular Formula | C22H19ClN2O5S |
| Molecular Weight | 458.91 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- 4-[(2E)-3-(2,4-Dimethoxyphenyl)prop-2-enoyl]phenyl 4-chlorobenzene-1-sulfonate (CAS 331461-22-4)
- 3-((4-Chlorophenyl)sulfonyl)-2-imino-1-(2-methoxyethyl)-10-methyl-1H-dipyrido[1,2-a:2',3'-d]pyrimidin-5(2H)-one (CAS 606958-26-3)
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-3-(trifluoromethyl)phenyl)acetamide (CAS 618879-84-8)
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