| CAS No. | 872211-87-5 |
| Molecular Formula | C20H19N3O3S2 |
| Molecular Weight | 413.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
CATO supplies 2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate (CAS 872211-87-5), a certified reference material (molecular formula C20H19N3O3S2, MW 413.51 g/mol) for analytical method development and quality control.
Structurally, 2-Oxo-2-((1,2,3,4-tetrahydronaphthalen-1-yl)amino)ethyl 2-(thieno[2,3-d]pyrimidin-4-ylthio)acetate (C20H19N3O3S2) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 413.51 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.
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.
| Molecular Formula | C20H19N3O3S2 |
| Molecular Weight | 413.51 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.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 2 |