5-(1-Ethyl-5-hydroxy-1H-pyrazole-4-carbonyl)-4-oxazol-2-yl-2-trifluoromethyl-benzonitrile CAS 1231648-84-2
| CAS No. | 1231648-84-2 |
| Molecular Formula | C17H11F3N4O3 |
| Molecular Weight | 376.29 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.
5-(1-Ethyl-5-hydroxy-1H-pyrazole-4-carbonyl)-4-oxazol-2-yl-2-trifluoromethyl-benzonitrile (CAS 1231648-84-2), molecular formula C17H11F3N4O3 and molecular weight 376.29 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(1-Ethyl-5-hydroxy-1H-pyrazole-4-carbonyl)-4-oxazol-2-yl-2-trifluoromethyl-benzonitrile (C17H11F3N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 376.29 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C17H11F3N4O3 |
| Molecular Weight | 376.29 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Ethyl Standards
- 5-(2-Hydroxy-6-oxo-cyclohex-1-enecarbonyl)-4-oxazol-2-yl-2-trifluoromethyl-benzonitrile (CAS 1231601-71-0)
- 4,4-Bis(4-hydroxy-3-nitrophenyl)pentanoic acid (CAS 14601-82-2)
- 4-(6-Hydroxy-3-oxo-3H-xanthen-9-yl)isophthalic acid (CAS 500533-95-9)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-((tert-butyldimethylsilyl)ethynyl)-4-methylpyrimidin-5-yl)boronate (CAS 2549188-31-8)
- 3,4-Bis(4-hydroxy-3-methoxybenzyl)tetrahydrofuran-2,3-diol (CAS 87402-76-4)
- 4-(Hydroxy(4-hydroxy-3-methoxyphenyl)methyl)-3-(4-hydroxy-3-methoxybenzyl)tetrahydrofuran-2-ol (CAS 82039-13-2)
- 4-(1-(4-Hydroxy-3-methoxybenzyl)-1H-benzo[d]imidazol-2-yl)-2-methoxyphenol (CAS 85573-18-8)
- [6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl](4-methoxyphenyl)methanone (CAS 63675-88-7)
Recommended Standards
- 6'-Bromo-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CAS 1383982-59-9)
- 4,4,5,5-Tetramethyl-2-(4-(4-((tetrahydro-2H-pyran-2-yl)oxy)butoxy)-phenyl)-1,3,2-dioxaborolane (CAS 1210827-89-6)
- (1R,1'R,4R)-6'-bromo-4-methoxy-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine (CAS 1384082-50-1)
- TFA-ap-dC (CAS 115899-38-2)
- 2-Bromo-6-(difluoromethyl)-5-iodonicotinaldehyde (CAS 1806909-24-9)
- 7,8-Dichloro-2h,3h-[1,4]dioxino[2,3-g]quinoxaline (CAS 727704-79-2)
- 2-Fluoroaniline hydrochloride (CAS 51085-49-5)
- 2-Chloro-N-cyclopropyl-N-((1-methylpiperidin-2-yl)methyl)acetamide (CAS 1353972-49-2)
- Altretamine (CAS 645-05-6)
- 5,5'-Diisopropyl-3,3'-dimethyl-8,8'-bis(((1-phenylethyl)imino)methyl)-[2,2'-binaphthalene]-1,1',6,6',7,7'-hexaol (CAS 10038-74-1)
- (5E)-3-(2-Chlorophenyl)-5-{[4-(cyclohexylsulfanyl)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 298215-94-8)
- 7-Ethyl-2,3-dihydrobenzo[d]imidazo[2,1-b]thiazole (CAS 739320-60-6)
- 4-(4-Methylthiazol-5-yl)butanoic acid (CAS 273939-94-9)
- Semaglutide impurity 86 (CAS CATO-C4X-152686)
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