3-Propyl-6-(trifluoromethyl)-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one CAS 866143-23-9
| CAS No. | 866143-23-9 |
| Molecular Formula | C16H14F6N2OS |
| Molecular Weight | 396.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 396.35 g/mol gives 3-Propyl-6-(trifluoromethyl)-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 3-Propyl-6-(trifluoromethyl)-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one (CAS 866143-23-9), a certified reference material (molecular formula C16H14F6N2OS, MW 396.35 g/mol) for analytical method development and quality control.
The molecular framework of 3-Propyl-6-(trifluoromethyl)-2-((3-(trifluoromethyl)benzyl)thio)pyrimidin-4(3H)-one (C16H14F6N2OS) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C16H14F6N2OS |
| Molecular Weight | 396.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Propyl Standards
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- 5-(2,4-Bis(trifluoromethyl)imidazo[1,2-a][1,8]naphthyridin-8-yl)oxazole-4-carbonitrile (CAS 1431426-09-3)
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Recommended Standards
- 2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-2-oxoethyl 2-(4-hydroxy-1-oxophthalazin-2(1H)-yl)acetate (CAS 848316-39-2)
- 4,4'-Disulfanediylbis(3-nitrobenzoic acid) (CAS 49706-71-0)
- 17-Iodoheptadecanoic acid (CAS 60451-92-5)
- 4,5,7-Trihydroxyisoflavone Triacetate (CAS 5995-97-1)
- 4-Tert-butylcyclohexane-1-carboximidamide hydrochloride (CAS 1394042-19-3)
- N,N,N-Trimethyl-3-oxo-3-phenylpropan-1-aminium chloride (CAS 67190-44-7)
- 1-Isobutyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazole (CAS 2223047-52-5)
- 2-(Sec-butyl)pyrimidin-4-amine (CAS 1250363-45-1)
- (2R,5S)-2,5-Dimethylmorpholine HCI (CAS 2920179-53-7；1130053-86-9（free base）)
- 3-Cyclopropoxy-4-formylpicolinonitrile (CAS 1243344-79-7)
- Dotinurad Impurity 210 (CAS CATO-C4X-2494210)
- 4,4'-(1,4-Phenylene)bis(1-(2,4-dinitrophenyl)pyridin-1-ium)chloride (CAS 2604211-04-1)
- Methanone, (5-bromo-2-fluorophenyl)-2-thienyl- (CAS 1094251-95-2)
- Fibrinopeptide A (human) (CAS 25422-31-5)
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