2-chloro-7-methyl-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one CAS 2646592-54-1
| CAS No. | 2646592-54-1 |
| Molecular Formula | C12H20ClN5O2 |
| Molecular Weight | 301.77 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 2-chloro-7-methyl-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one (C12H20ClN5O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 301.77 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
2-chloro-7-methyl-9-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)purin-8-one (CAS 2646592-54-1), molecular formula C12H20ClN5O2 and molecular weight 301.77 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C12H20ClN5O2 |
| Molecular Weight | 301.77 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
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- Semaglutide impurity 92 (CAS CATO-C4X-222692)
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