2-Amino-6-methyl-5-(4-phenylbutyl)pyrimidin-4(3H)-one CAS 1596-98-1
| CAS No. | 1596-98-1 |
| Molecular Formula | C22H29F3O3 |
| Molecular Weight | 398.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 398.46 g/mol gives 2-Amino-6-methyl-5-(4-phenylbutyl)pyrimidin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-Amino-6-methyl-5-(4-phenylbutyl)pyrimidin-4(3H)-one (CAS 1596-98-1), molecular formula C22H29F3O3 and molecular weight 398.46 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-Amino-6-methyl-5-(4-phenylbutyl)pyrimidin-4(3H)-one (C22H29F3O3) contains a steroid core, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 398.46 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.
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 | C22H29F3O3 |
| Molecular Weight | 398.46 g/mol |
| Appearance | Off-white to pale 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 chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1957 |
| Halogen Content | F-containing |
Related Amino Standards
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- 2-Amino-3-((((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl)thio)-3-methylbutanoic acid (CAS 88643-32-7)
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- Ethyl (8-amino-3-(3,4,5-trimethoxyphenyl)pyrido[2,3-b]pyrazin-6-yl)carbamate (CAS 28642-77-5)
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Recommended Standards
- Flumedroxone (CAS 15687-21-5)
- 1,2,4,5-Tetrakis((1H-pyrazol-1-yl)methyl)benzene (CAS 172606-28-9)
- Row72181 (CAS 1396856-01-1)
- 1-Benzhydryl-3-(2-(2-(pyrimidin-2-yl)-1H-imidazol-1-yl)ethyl)urea (CAS 1797261-39-2)
- Isopropyl 2-((4-amino-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 573951-09-4)
- Ethyl (2-ethoxy-2-oxoethyl)alaninate (CAS 1431847-69-6)
- (R)-2-phenylbutanoic acid (CAS 938-79-4)
- (S)-1-(3-chloro-2-methylphenyl)-2-methoxyethan-1-amine (CAS 1270013-54-1)
- 4-(Quinoxalin-2-ylamino)benzoic acid (CAS 100962-02-5)
- 1-(Piperazin-1-yl)cyclopentane-1-carboxamide (CAS 1183997-50-3)
- N-(1,3-Dimethyl-1H-pyrazol-5-yl)-N-hydroxyformimidamide (CAS 382136-56-3)
- 5-Chloro-2-methoxy-4-(1h-1,2,3,4-tetrazol-1-yl)benzoic acid (CAS 926268-74-8)
- 2-(4-(Cyclopentyloxy)phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1196396-29-8)
- Sperm Activating Peptide, Sea Urchin (CAS 140653-27-6)
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