2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine CAS 439094-05-0
| CAS No. | 439094-05-0 |
| Molecular Formula | C25H20ClF4N3O2S |
| Molecular Weight | 537.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine (CAS 439094-05-0), molecular formula C25H20ClF4N3O2S and molecular weight 537.96 g/mol, is a CATO reference standard with documented purity and traceability.
2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6,7-dimethoxy-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine (C25H20ClF4N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C25H20ClF4N3O2S |
| Molecular Weight | 537.96 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.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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- 4-[Methyl(tetrahydro-2H-pyran-4-ylmethyl)amino]-3-nitrobenzoic acid (CAS 1219967-27-7)
- 5-(2-Chlorophenoxy)furan-2-carboxylic acid (CAS 1082119-89-8)
- 2-[2-(2-Chloro-4-fluorophenoxy)ethyl]piperidinehydrochloride (CAS 1219981-13-1)
- Methyl 3-Bromo-1-methylpyrazole-5-carboxylate (CAS 1784137-59-2)
- 1,1-Bis(trimethylsilyloxy)-1-propene (CAS 31469-22-4)
- 2-Acetamido-3,4,6-tri-O-acetyl-2-deoxy-D-glucopyranosyl chloride - (CAS 51236-40-9)
- 8-Methoxy-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 258532-71-7)
- Semaglutide impurity 259 (CAS CATO-C4X-2226259)
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