(S)-ethyl 3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate CAS 1431699-64-7
| CAS No. | 1431699-64-7 |
| Molecular Formula | C41H45FN4O4S |
| Molecular Weight | 708.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(S)-ethyl 3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate (CAS 1431699-64-7), molecular formula C41H45FN4O4S and molecular weight 708.88 g/mol, is a CATO reference standard with documented purity and traceability.
(S)-ethyl 3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate (C41H45FN4O4S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
As a certified reference material (CRM), (S)-ethyl 3-(5-((1-acetylindolin-2-yl)methoxy)-3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-1H-indol-2-yl)-2,2-dimethylpropanoate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C41H45FN4O4S |
| Molecular Weight | 708.88 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 21.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1991 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Recommended Standards
- (R)-2,2',3,3'-Tetrahydro-6,6'-bis([1,1':3',1''-terphenyl]-5'-yl)-1,1'-spirobi[1H-indene]-7,7'-diol (CAS 1352810-34-4)
- Diosgenin-3-O-�-D-xylosyl-(1?3)-�-glucoside (CAS 65604-99-1)
- Spirostan, β-D-xylopyranoside deriv. (CAS 125225-63-0)
- 1,4,5,8-Tetraamino-2,6-bis(3-(octyloxy)phenoxy)anthracene-9,10-dione (CAS 88600-23-1)
- 1-methyl-5-phenyl-2,3-dihydro-1H-imidazol-2-one (CAS 59167-84-9)
- 2-(2-Naphthyloxy)propanoyl chloride (CAS 62782-37-0)
- N,N'-([2,2'-Bipyridine]-6,6'-diyl)bis(4-(tert-butyl)benzamide) (CAS 192193-79-6)
- 2-Chloro-N-(2-(ethylamino)-2-oxoethyl)acetamide (CAS 878465-76-0)
- 4-((4-Hydroxyphenoxy)carbonyl)benzoic acid (CAS 158120-00-4)
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- Edoxaban Impurity 13 (CAS 767625-11-6)
- 4-[(3,4-Difluorobenzoyl)Amino]-5-(3-Methoxypropyl-Pentylamino)-5-Oxopentanoic Acid (CAS 111106-23-1)
- tert-Butyl 4-(aminomethyl)-1H-imidazole-1-carboxylate (CAS 1245808-28-9)
- Lixisenatide (CAS 320367-13-3)
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