N-(2-Fluorophenyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide CAS 946247-48-9
| CAS No. | 946247-48-9 |
| Molecular Formula | C20H16FN5O2S |
| Molecular Weight | 409.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of N-(2-Fluorophenyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies N-(2-Fluorophenyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide (CAS 946247-48-9), a certified reference material (molecular formula C20H16FN5O2S, MW 409.44 g/mol) for analytical method development and quality control.
Structurally, N-(2-Fluorophenyl)-2-((7-methyl-4-oxo-8-phenyl-3,4-dihydropyrazolo[1,5-a][1,3,5]triazin-2-yl)thio)acetamide (C20H16FN5O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 15.0, corresponding to approximately 15 ring(s) or double-bond equivalent(s). With a molecular weight of 409.44 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C20H16FN5O2S |
| Molecular Weight | 409.44 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related N Standards
- 1-(4-{[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl}piperidin-1-yl)-2-(4-methylphenoxy)ethan-1-one (CAS 1775455-69-0)
- 1-(4-Fluorophenyl)-3-(3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one (CAS 439081-02-4)
- 1-[Bis(4-fluorophenyl)methyl]-4-(4-nitrophenyl)piperazine (CAS 851472-82-7)
- trans-1-(4-Fluorophenyl)-3-((R)-3-(4-fluorophenyl)-3-hydroxypropyl)-4-(4-hydroxyphenyl)azetidin-2-one (CAS 947332-80-1)
- (S)-5-(1-(1-(4-Fluorophenyl)ethyl)-1H-[1,2,3]triazolo[4,5-c]quinolin-8-yl)benzo[d]oxazole (CAS 2123491-32-5)
- 1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine (CAS 154558-38-0)
- N-(4-fluorophenyl)-1,3-dimethyl-5-((3-(trifluoromethyl)phenyl)thio)-1H-pyrazole-4-carboxamide (CAS 303997-97-9)
- 3-Ethyl-5-((3-(4-fluorophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-2-thioxothiazolidin-4-one (CAS 302938-07-4)
Recommended Standards
- n-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1h-pyrazol-4-yl)-2-(2-ethoxy-4-formylphenoxy)acetamide (CAS 881580-08-1)
- IWR-1 (CAS 1127442-82-3)
- Methyl 3-(8-benzyl-1,6,7-trimethyl-2,4-dioxo-1,2,4,8-tetrahydro-3H-imidazo[2,1-f]purin-3-yl)propanoate (CAS 915926-90-8)
- Erlotinib impurity 138 (CAS 1318600-03-1)
- 3-[Methyl(methylsulfonyl)amino]benzoic acid (CAS 89469-46-5)
- n-Ethyl-5-fluoro-2-methylbenzenesulfonamide (CAS 1095013-36-7)
- 5-Methoxy-1H-pyrrolo[2,3-b]pyridin-4-amine (CAS 1190321-67-5)
- 2-Ethyl-4-hydroxybenzonitrile (CAS 14143-33-0)
- 7-Pentadecanone (CAS 6064-38-6)
- 2-(4-Chlorophenyl)-5-methyl-1H-imidazole (CAS 35345-09-6)
- 2-Chloro-4-(2,2-dimethylpropyl)phenol (CAS 653578-47-3)
- 55124-35-1 borane diisopropylamine complex (CAS 55124-35-1)
- 4-Amino-3-fluoro-N-methylbenzamide (CAS 90663-31-3)
- Tirzepatide Impurity 37 (CAS CATO-C4X-324037)
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