(6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine CAS 2161304-05-6
| CAS No. | 2161304-05-6 |
| Molecular Formula | C12H16ClN3O4S |
| Molecular Weight | 333.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
(6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine (CAS 2161304-05-6) is a high-purity analytical reference standard with the molecular formula C12H16ClN3O4S and a molecular weight of 333.79 g/mol.
Structurally, (6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine (C12H16ClN3O4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 333.79 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (6aS,10R)-2-Chloro-10-methyl-4-[(methylsulfonyl)methyl]-6a,7,9,10-tetrahydro-6H-[1,4]oxazino[4,3-d]pyrimido[5,4-b][1,4]oxazine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C12H16ClN3O4S |
| Molecular Weight | 333.79 g/mol |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
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