Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate CAS 16869-85-5
| CAS No. | 16869-85-5 |
| Molecular Formula | C28H26FN3O4 |
| Molecular Weight | 487.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate (C28H26FN3O4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 17.0, corresponding to approximately 17 ring(s) or double-bond equivalent(s). With a molecular weight of 487.52 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate (CAS 16869-85-5) is a high-purity analytical reference standard with the molecular formula C28H26FN3O4 and a molecular weight of 487.52 g/mol.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Benzyl (1,3-dibenzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)(2-fluoroethyl)carbamate 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 | C28H26FN3O4 |
| Molecular Weight | 487.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1961 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
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