Ethyl 3-(3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate CAS 1245899-93-7
| CAS No. | 1245899-93-7 |
| Molecular Formula | C30H34FN3O3S |
| Molecular Weight | 535.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Ethyl 3-(3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate (C30H34FN3O3S) contains a steroid core, 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Ethyl 3-(3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-5-hydroxy-1H-indol-2-yl)-2,2-dimethylpropanoate (CAS 1245899-93-7), molecular formula C30H34FN3O3S and molecular weight 535.67 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Ethyl 3-(3-(tert-butylthio)-1-(4-(5-fluoropyrimidin-2-yl)benzyl)-5-hydroxy-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 | C30H34FN3O3S |
| Molecular Weight | 535.67 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Recommended Standards
- 1-(4-(4-(2-(Isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol (CAS 1125593-20-5)
- Itopride Impurity 23 (CAS CATO-C4X-137723)
- 20-Oxo-24-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-4,7,10,13,16-pentaoxa-19-azatetracosanoic acid (CAS 2252330-85-9)
- Pemafibrate Impurity 86 (CAS CATO-C4X-290386)
- (3aR,5s,6aS)-tert-Butyl 5-aminohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate (CAS 1221439-83-3)
- Propionylferrocene (CAS 1271-79-0)
- [1,1'-Biphenyl]-4-yltrichlorosilane (CAS 18030-61-0)
- 2-Chloro-5-[chloro(difluoro)methoxy]-1,3-difluoro-benzene (CAS 1417566-88-1)
- 2-(2-Biphenyl-4-yl-ethyl)-6-hydroxy-benzoic acid methyl ester (CAS 1171924-93-8)
- Sodium O-butyl carbonodithioate (CAS 141-33-3)
- 4-Amino-2-(trifluoromethoxy)benzamide (CAS 609783-09-7)
- 2-Chloro-5-cyclobutylthiazole (CAS 1412955-40-8)
- 6-Chloro-N-methoxy-N-methylnicotinamide (CAS 149281-42-5)
- Galanin-Like Peptide (porcine) trifluoroacetate salt (CAS 245114-96-9)
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