1-(2-(1H-indol-3-yl)ethyl)-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidin-4(1H)-one CAS 551930-80-4
| CAS No. | 551930-80-4 |
| Molecular Formula | C20H14ClF3N4O |
| Molecular Weight | 418.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(2-(1H-indol-3-yl)ethyl)-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidin-4(1H)-one (CAS 551930-80-4) is a high-purity analytical reference standard with the molecular formula C20H14ClF3N4O and a molecular weight of 418.80 g/mol.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 1-(2-(1H-indol-3-yl)ethyl)-5-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)pyrimidin-4(1H)-one is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 418.80 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H14ClF3N4O |
| Molecular Weight | 418.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related H Standards
- 1-(1H-Indol-3-yl)-2-(triphenylphosphoranylidene)ethanone (CAS 91543-07-6)
- 3H-Indol-3-one, 5-bromo-2-(5-bromo-1,3-dihydro-3-oxo-2H-indol-2-ylidene)-1,2-dihydro- (CAS 84-40-2)
- 3-{[2-(1H-indol-3-yl)-2-phenylethyl]sulfamoyl}benzoic acid (CAS 877966-22-8)
- 1-(2-(1H-indol-3-yl)ethyl)-3-(2,4-dichlorobenzyl)-4-hydroxypyridin-2(1H)-one (CAS 478045-90-8)
- 1-(1H-Indol-3-yl)-2-phenyl-2-((1-(o-tolyl)-1H-tetrazol-5-yl)thio)ethan-1-one (CAS 742116-60-5)
- 1-(2-(1H-indol-3-yl)ethyl)-3-(2,6-dichlorobenzyl)-2-methylpyridin-4(1H)-one (CAS 860785-21-3)
- 6-(2-(4-(1H-Indol-3-yl)piperidin-1-yl)ethyl)-3,7-dimethyl-5H-thiazolo[3,2-a]pyrimidin-5-one (CAS 79449-97-1)
- 11-(1H-indol-3-yl)-3,3-dimethyl-1-oxo-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepine-7-carboxylic acid (CAS 1024355-02-9)
Recommended Standards
- (2R)-3-Chloro-2-[[4-(trifluoromethoxy)phenyl]methoxy]propyl ester 4-Methoxybenzoic Acid (CAS 1253202-35-5)
- 11-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-5,11,12,12a-tetrahydropyrazolo[3',4':4,5]pyrido[2,1-a]isoquinolin-8(6H)-one (CAS 339012-01-0)
- Ethyl 7-amino-2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate (CAS 303150-39-2)
- 5-[(2-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethyl)amino]-1,2,3,4-tetrahydropyrimidine-2,4-dione (CAS 321432-02-4)
- 7-((Difluoromethyl)sulfonyl)-4-fluoro-2,3-dihydro-1H-inden-1-one (CAS 1672661-81-2)
- Tert-butyl n-{3-[4-(benzyloxy)phenyl]prop-2-yn-1-yl}carbamate (CAS 1315365-40-2)
- 1-(2-Ethoxy-3,5-difluorophenyl)-2,2,2-trifluoroethan-1-one (CAS 1443304-12-8)
- Estradiol 17-Desoxy Impurity (CAS 53-63-4)
- 2-(5-Propyl-1,3,4-oxadiazol-2-yl)-1h-indole (CAS 1105196-10-8)
- 3-(2,2,2-Trifluoroacetamido)butanoic acid (CAS 101642-76-6)
- 3-Bromo-5-(3,3,3-trifluoropropoxy)pyridine (CAS 1339651-78-3)
- 1-(difluoromethyl)-1H-indol-6-amine (CAS 1862921-48-9)
- 2-(3-((Benzyloxy)methyl)bicyclo[1.1.1]Pentan-1-yl)acetic acid (CAS 2231674-93-2)
- Semaglutide Impurity 146 (CAS 2645421-68-5)
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