5-{[(4-chlorophenyl)sulfanyl]methyl}-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-ol CAS 691868-62-9
| CAS No. | 691868-62-9 |
| Molecular Formula | C23H19ClN4OS2 |
| Molecular Weight | 467.01 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.
5-{[(4-chlorophenyl)sulfanyl]methyl}-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-ol (CAS 691868-62-9) is a high-purity analytical reference standard with the molecular formula C23H19ClN4OS2 and a molecular weight of 467.01 g/mol.
The molecular framework of 5-{[(4-chlorophenyl)sulfanyl]methyl}-2-[3-(2,5-dimethyl-1H-pyrrol-1-yl)thiophen-2-yl]pyrazolo[1,5-a]pyrimidin-7-ol (C23H19ClN4OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C23H19ClN4OS2 |
| Molecular Weight | 467.01 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 2 |
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