3-(1-((2-(sec-Butylamino)-2-oxoethyl)thio)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-isobutylpropanamide CAS 1112308-94-7
| CAS No. | 1112308-94-7 |
| Molecular Formula | C22H30N6O3S |
| Molecular Weight | 458.58 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 458.58 g/mol gives 3-(1-((2-(sec-Butylamino)-2-oxoethyl)thio)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-isobutylpropanamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(1-((2-(sec-Butylamino)-2-oxoethyl)thio)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-isobutylpropanamide (CAS 1112308-94-7), molecular formula C22H30N6O3S and molecular weight 458.58 g/mol, is a CATO reference standard with documented purity and traceability.
3-(1-((2-(sec-Butylamino)-2-oxoethyl)thio)-5-oxo-[1,2,4]triazolo[4,3-a]quinazolin-4(5H)-yl)-N-isobutylpropanamide (C22H30N6O3S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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.
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 | C22H30N6O3S |
| Molecular Weight | 458.58 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 |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 6 |
| Sulfur Atoms | 1 |
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