3-(((R)-4-((3S,4AS,8aS)-3-((1-hydroxy-2-methylpropan-2-yl)carbamoyl)octahydroisoquinolin-2(1H)-yl)-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenyl acetate CAS 1260619-45-1
| CAS No. | 1260619-45-1 |
| Molecular Formula | C34H47N3O5S |
| Molecular Weight | 609.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 3-(((R)-4-((3S,4AS,8aS)-3-((1-hydroxy-2-methylpropan-2-yl)carbamoyl)octahydroisoquinolin-2(1H)-yl)-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenyl acetate 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.
CATO supplies 3-(((R)-4-((3S,4AS,8aS)-3-((1-hydroxy-2-methylpropan-2-yl)carbamoyl)octahydroisoquinolin-2(1H)-yl)-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenyl acetate (CAS 1260619-45-1), a certified reference material (molecular formula C34H47N3O5S, MW 609.82 g/mol) for analytical method development and quality control.
The molecular framework of 3-(((R)-4-((3S,4AS,8aS)-3-((1-hydroxy-2-methylpropan-2-yl)carbamoyl)octahydroisoquinolin-2(1H)-yl)-1-(phenylthio)butan-2-yl)carbamoyl)-2-methylphenyl acetate (C34H47N3O5S) 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 aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C34H47N3O5S |
| Molecular Weight | 609.82 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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