2-(Ethylsulfanyl)-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine CAS 439094-12-9
| CAS No. | 439094-12-9 |
| Molecular Formula | C20H20F3N3O2S |
| Molecular Weight | 423.45 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.
2-(Ethylsulfanyl)-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine (CAS 439094-12-9), molecular formula C20H20F3N3O2S and molecular weight 423.45 g/mol, is a CATO reference standard with documented purity and traceability.
2-(Ethylsulfanyl)-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine (C20H20F3N3O2S) contains a steroid 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C20H20F3N3O2S |
| Molecular Weight | 423.45 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Ethylsulfanyl Standards
- Methyl 2-{[4-(ethylsulfanyl)-11,13-dimethyl-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-yl]oxy}benzoate (CAS 478065-72-4)
- 3-(Ethylsulfanyl)-4-methyl-5-[3-(thiophen-2-yl)-6-(trifluoromethyl)thieno[3,2-b]pyridin-2-yl]-4H-1,2,4-triazole (CAS 478048-43-0)
- Methyl 3-{[6-(ethylsulfanyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}thiophene-2-carboxylate (CAS 478247-51-7)
- 2-(Ethylsulfanyl)-3H-indol-3-one N-(2,4,6-trichlorophenyl)hydrazone (CAS 478042-24-9)
- 4-(Ethylsulfanyl)-11,13-dimethyl-6-(phenylsulfanyl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaene (CAS 478065-74-6)
- 3-(Ethylsulfanyl)-4-methyl-5-[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]-4H-1,2,4-triazole (CAS 477709-36-7)
- 2-(Ethylsulfanyl)-4-(4-methylphenyl)-1H,4H,5H-indeno[1,2-d]pyrimidin-5-one (CAS 383147-80-6)
- 4-(Ethylsulfanyl)-11,13-dimethyl-N-(prop-2-en-1-yl)-8-thia-3,5,10-triazatricyclo[7.4.0.0^{2,7}]trideca-1(13),2(7),3,5,9,11-hexaen-6-amine (CAS 478065-73-5)
Recommended Standards
- 2-((3-Cyano-6-ethyl-5-methyl-4-(trifluoromethyl)pyridin-2-yl)thio)-N-(4-methoxybenzyl)acetamide (CAS 664999-20-6)
- 3-(Benzylsulfanyl)-5-(2,2-dimethoxyethyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazole (CAS 477850-87-6)
- (E)-4-(2-(naphthalen-1-yl)vinyl)-8-(trifluoromethoxy)-2,3-dihydrothieno[3,2-c]quinoline (CAS 866133-45-1)
- 4-Ethyl-3-((4-methylbenzyl)sulfinyl)-5-((3-(trifluoromethyl)phenoxy)methyl)-4H-1,2,4-triazole (CAS 955976-67-7)
- N'-(3-(trifluoromethyl)quinoxalin-2-yl)benzohydrazide (CAS 343372-42-9)
- Methyl 4-(benzyloxy)-2,3-difluorobenzoate (CAS 1879026-09-1)
- 5-(Hydroxymethyl-d2)uracil-6-d1 (CAS 352438-73-4)
- (R)-1-(6-Nitroquinoxalin-2-yl)pyrrolidin-3-ol (CAS 1417789-06-0)
- 3-(1-Ethyl-5-methyl-1h-pyrazol-4-yl)-1-phenyl-1h-pyrazole-4-carboxylic acid (CAS 1006348-70-4)
- 2-Ethoxy-5-phenyl-2,3-dihydrofuran (CAS 87842-07-7)
- 5,6,7,8-Tetrakis(chloromethyl)-bicyclo[2.2.2]oct-2-ene (CAS 75073-78-8)
- (E)-2-((2-Hydroxybenzylidene)amino)benzamide (CAS 35717-70-5)
- (R)-(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (R)-4-Aminomethyl-2,2-dimethyl-1,3-dioxolane 103883-30-3 (CAS 103883-30-3)
- Semaglutide impurity 211 (CAS CATO-C4X-2226211)
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