3-(4-Methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-one CAS 80306-58-7
| CAS No. | 80306-58-7 |
| Molecular Formula | C18H16N2O2S |
| Molecular Weight | 324.40 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.
CATO supplies 3-(4-Methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-one (CAS 80306-58-7), a certified reference material (molecular formula C18H16N2O2S, MW 324.40 g/mol) for analytical method development and quality control.
Structurally, 3-(4-Methoxyphenyl)-2-(methylthio)-6-phenylpyrimidin-4(3H)-one (C18H16N2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 324.40 g/mol, it falls into the moderately-high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
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 | C18H16N2O2S |
| Molecular Weight | 324.40 g/mol |
| 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1979 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-[(4,5-Diphenyl-1H-imidazol-2-yl)thio]-propanoic acid (CAS 50677-48-0)
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