Ethyl 2-(N-(4-bromophenyl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamido)acetate CAS 332158-81-3
| CAS No. | 332158-81-3 |
| Molecular Formula | C21H21BrN4O3S |
| Molecular Weight | 489.39 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(N-(4-bromophenyl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamido)acetate is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-(N-(4-bromophenyl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamido)acetate (CAS 332158-81-3), molecular formula C21H21BrN4O3S and molecular weight 489.39 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 2-(N-(4-bromophenyl)-2-((3-(m-tolyl)-1H-1,2,4-triazol-5-yl)thio)acetamido)acetate (C21H21BrN4O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C21H21BrN4O3S |
| Molecular Weight | 489.39 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- 2-((6-Bromo-3-(furan-2-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 786726-43-0)
- N1-(1,1,1-triphenyl-lambda5-phosphanylidene)-3,5-di(trifluoromethyl)aniline (CAS 628301-58-6)
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- 4-[3-(1H-tetrazol-1-yl)phenyl]-1,3-thiazol-2-amine (CAS 953754-64-8)
- 2-((3-Cyano-4-(3,4-dimethoxyphenyl)-6-phenylpyridin-2-yl)thio)-N-(p-tolyl)acetamide (CAS 444152-24-3)
- 2-(Difluoromethyl)-N-(2-(1-methyl-1H-indol-3-yl)ethyl)benzamide (CAS 920537-44-6)
- 6-Amino-4-(furan-3-yl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CAS 340808-49-3)
- Semaglutide impurity 203 (CAS CATO-C4X-2226203)
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