tert-Butyl 4-(6-((5-(2-(7-chloro-1H-indol-4-yl)vinyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazine-1-carboxylate CAS 1245652-85-0
| CAS No. | 1245652-85-0 |
| Molecular Formula | C27H30ClN7O2S |
| Molecular Weight | 552.09 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 tert-Butyl 4-(6-((5-(2-(7-chloro-1H-indol-4-yl)vinyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazine-1-carboxylate (CAS 1245652-85-0), a certified reference material (molecular formula C27H30ClN7O2S, MW 552.09 g/mol) for analytical method development and quality control.
Structurally, tert-Butyl 4-(6-((5-(2-(7-chloro-1H-indol-4-yl)vinyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)piperazine-1-carboxylate (C27H30ClN7O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 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 552.09 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 | C27H30ClN7O2S |
| Molecular Weight | 552.09 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.) | 1990 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 7 |
| Sulfur Atoms | 1 |
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