7-(tert-Butyl)-2-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one CAS 950346-25-5
| CAS No. | 950346-25-5 |
| Molecular Formula | C26H31N3O2S |
| Molecular Weight | 449.61 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 7-(tert-Butyl)-2-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (CAS 950346-25-5), a certified reference material (molecular formula C26H31N3O2S, MW 449.61 g/mol) for analytical method development and quality control.
7-(tert-Butyl)-2-(3-(3,4-dihydroisoquinolin-2(1H)-yl)-3-oxopropyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one (C26H31N3O2S) 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.
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 | C26H31N3O2S |
| Molecular Weight | 449.61 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- Trioctylphosphine selenide (CAS 20612-73-1)
- 296272-64-5 Diethyl 2-(2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate MFCD00532504 (CAS 296272-64-5)
- Cabergoline Impurity 10 (CAS 1380085-95-9)
- 296272-67-8 Diethyl 2-(2,2,6-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate MFCD00532507 (CAS 296272-67-8)
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