Ethyl 3-(3-(tert-Butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate CAS 1431697-75-4
| CAS No. | 1431697-75-4 |
| Molecular Formula | C20H29NO3S |
| Molecular Weight | 363.51 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 3-(3-(tert-Butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate (CAS 1431697-75-4), molecular formula C20H29NO3S and molecular weight 363.51 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 3-(3-(tert-Butylthio)-5-methoxy-1H-indol-2-yl)-2,2-dimethylpropanoate (C20H29NO3S) 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 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 363.51 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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.
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 | C20H29NO3S |
| Molecular Weight | 363.51 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
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