2-((Benzoyloxy)methyl)-5-(6-((1-ethoxy-1-oxooctan-2-yl)thio)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate CAS 87733-49-1
| CAS No. | 87733-49-1 |
| Molecular Formula | C39H41N3O11S |
| Molecular Weight | 759.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-((Benzoyloxy)methyl)-5-(6-((1-ethoxy-1-oxooctan-2-yl)thio)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-((Benzoyloxy)methyl)-5-(6-((1-ethoxy-1-oxooctan-2-yl)thio)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate (CAS 87733-49-1) is a high-purity analytical reference standard with the molecular formula C39H41N3O11S and a molecular weight of 759.82 g/mol.
The molecular framework of 2-((Benzoyloxy)methyl)-5-(6-((1-ethoxy-1-oxooctan-2-yl)thio)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)tetrahydrofuran-3,4-diyl dibenzoate (C39H41N3O11S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C39H41N3O11S |
| Molecular Weight | 759.82 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 |
| Degree of Unsaturation (DBE) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1982 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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