ethyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate CAS 936351-51-8
| CAS No. | 936351-51-8 |
| Molecular Formula | C32H44BNO5S |
| Molecular Weight | 565.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
ethyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate (CAS 936351-51-8), molecular formula C32H44BNO5S and molecular weight 565.57 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, ethyl 3-(3-(tert-butylthio)-5-hydroxy-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate (C32H44BNO5S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.5, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 565.57 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C32H44BNO5S |
| Molecular Weight | 565.57 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 11.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
- (S)-5-((3-Phenoxybenzyl)(1,2,3,4-tetrahydronaphthalen-1-yl)carbamoyl)benzene-1,2,4-tricarboxylic acid (CAS 475205-49-3)
- Ethyl 4-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetamido)benzoate (CAS 4113-91-1)
- Ipecoside (CAS 15401-60-2)
- Pomalidomide-5'-PEG5-C2-acid (CAS 2412056-50-7)
- (S)-DIHYDROPYRROLO[1,2-C]OXAZOLE-3,6(1H,5H)-DIONE (CAS 1447615-97-5)
- N,N-Diallyl-2,2,2-Trifluoroacetamide (CAS 14618-49-6)
- MT04 (CAS 923267-23-6)
- [1,1'-Biphenyl]-4-carboximidamide (CAS 125772-44-3)
- 2-(2,6-dioxo-3-piperidyl)-5-[3-(methylamino)butylamino]isoindoline-1,3-dione (CAS 2703760-18-1)
- (R)-2-(4-Methoxy-6-methylpyridin-2-yl)-4-phenyl-4,5-dihydrooxazole (CAS 2757082-89-4)
- Propyl 2-(3-fluorophenyl)-1H-benzo[d]imidazole-6-carboxylate (CAS 1416343-01-5)
- 2-[4-(4-methylbenzenesulfonyl)piperazine-1-carbonyl]benzoic acid (CAS 741729-17-9)
- 1-(1-Ethyl-1h-imidazol-4-yl)-ethanone (CAS 1547114-22-6)
- Semaglutide impurity 95 (CAS CATO-C4X-222695)
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