1-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]-3,3-dimethylazetidin-2-one CAS 860649-70-3
| CAS No. | 860649-70-3 |
| Molecular Formula | C23H20ClN5OS |
| Molecular Weight | 449.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]-3,3-dimethylazetidin-2-one (CAS 860649-70-3) is a high-purity analytical reference standard with the molecular formula C23H20ClN5OS and a molecular weight of 449.96 g/mol.
1-[4-(2-{[(3-chlorophenyl)methyl]sulfanyl}-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)phenyl]-3,3-dimethylazetidin-2-one (C23H20ClN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point; 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 | C23H20ClN5OS |
| Molecular Weight | 449.96 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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