((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate CAS 165047-01-8
| CAS No. | 165047-01-8 |
| Molecular Formula | C18H19BrN2O8S |
| Molecular Weight | 503.32 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.
((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate (CAS 165047-01-8), molecular formula C18H19BrN2O8S and molecular weight 503.32 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate (C18H19BrN2O8S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 503.32 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), ((2R,3R,4R,5R)-4-Bromo-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-((methylsulfonyl)oxy)tetrahydrofuran-2-yl)methyl benzoate 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 | C18H19BrN2O8S |
| Molecular Weight | 503.32 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2004 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- 3-{[(4-bromophenyl)methyl]sulfanyl}-5-({[(2,6-dichlorophenyl)methyl]sulfanyl}methyl)-4-ethyl-4H-1,2,4-triazole 344270-90-2 7H-465S (CAS 344270-90-2)
- 2-((2,5-Dichloro-N-phenylphenyl)sulfonamido)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 339103-16-1)
- 9-Hexyl-3,6-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (CAS 628336-95-8)
- N-(2,4-dichlorophenyl)-2-(N-(3-(trifluoromethyl)phenyl)phenylsulfonamido)acetamide (CAS 337922-40-4)
- 3-((2-Fluorobenzyl)thio)-5-(furan-2-yl)-4-methyl-4H-1,2,4-triazole (CAS 498551-14-7)
- 2-methylbutane-1,2,4-triol (CAS 62875-07-4)
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