11-(2,5-Dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one CAS 626227-93-8
| CAS No. | 626227-93-8 |
| Molecular Formula | C19H13F3N2O4S |
| Molecular Weight | 422.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
11-(2,5-Dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (CAS 626227-93-8), molecular formula C19H13F3N2O4S and molecular weight 422.38 g/mol, is a CATO reference standard with documented purity and traceability.
11-(2,5-Dimethoxyphenyl)-6-hydroxy-13-(trifluoromethyl)-8-thia-3,10-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5,10,12-pentaen-4-one (C19H13F3N2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
Physical & Chemical Properties
| Molecular Formula | C19H13F3N2O4S |
| Molecular Weight | 422.38 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
- (2R,3S)-7-(((2S,3R,4R)-3,4-Dihydroxy-4-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2-(3,4-dihydroxyphenyl)chroman-3,5-diol (CAS 81905-13-7)
- 2-(1-Methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)-6-(phenylsulfonyl)pyrazolo[1,5-a]pyrimidin-7-amine (CAS 955964-67-7)
- β-lucosylglycerol 2-3-4-6-tetraacetate (CAS 157024-67-4)
- Osimertinib Impurity 62 (CAS CATO-C4X-204562)
- 4-(4-Bromostyryl)-N,N-diphenylaniline (CAS 219987-44-7)
- 1-(2,4-Dinitrophenyl)-4-Propylpiperidine (CAS 19780-01-9)
- 2-(3-Nitrophenyl)-1h-imidazole-4-carboxylic acid (CAS 601494-32-0)
- 3-Chloro-2-((1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl)oxy)-5-(trifluoromethyl)pyridine (CAS 303144-60-7)
- Ethyl 3-amino-4-((1-phenylethyl)amino)benzoate (CAS 890093-77-3)
- Cefcapene Impurity 40 (CAS CATO-C4X-182440)
- 2-(4-Fluorophenyl)-7-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CAS 1429893-59-3)
- (S)-Cyclohexyl 2-aminopropanoate (CAS 72873-27-9)
- N-Cyclopropyl-4-methyl-3-(3-methylbenzo[d]isoxazol-6-yl)benzamide (CAS 651780-60-8)
- Semaglutide impurity 91 (CAS CATO-C4X-222691)
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