6,7-Dimethoxy-2-((4-methoxybenzyl)thio)-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine CAS 439094-00-5
| CAS No. | 439094-00-5 |
| Molecular Formula | C26H24F3N3O3S |
| Molecular Weight | 515.55 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies 6,7-Dimethoxy-2-((4-methoxybenzyl)thio)-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine (CAS 439094-00-5), a certified reference material (molecular formula C26H24F3N3O3S, MW 515.55 g/mol) for analytical method development and quality control.
Structurally, 6,7-Dimethoxy-2-((4-methoxybenzyl)thio)-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine (C26H24F3N3O3S) 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 515.55 g/mol, it falls into the moderately-high-molecular-weight range. 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.
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 | C26H24F3N3O3S |
| Molecular Weight | 515.55 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-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Dimethoxy Standards
- 6,7-Dimethoxy-2-{[(3-methoxyphenyl)methyl]sulfanyl}-3-{[3-(trifluoromethyl)phenyl]methyl}-3,4-dihydroquinazolin-4-imine (CAS 691868-92-5)
- 2-(2-(4-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethyl)phenyl)-2H-tetrazol-5-yl)-4,5-dimethoxyaniline (CAS 849675-46-3)
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- 3,4-Dimethoxy-N-[4-(3-nitrophenyl)-5-(1-piperidinylmethyl)-2-thiazolyl]-benzenesulfonamide (CAS 1008119-83-2)
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- 3,4-Dimethoxy-N-(4-(3-nitrophenyl)-5-(piperazin-1-ylmethyl)thiazol-2-yl)benzenesulfonamide (CAS 1951440-83-7)
- 58257-01-5 Bis(4,5-dimethoxy-2-nitrophenyl)diselenide DTXSID90369931 (CAS 58257-01-5)
Recommended Standards
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- ((S)-2-(4-Oxobenzo[d][1,2,3]triazin-3(4H)-yl)propanoyl)-L-leucine (CAS 1173680-15-3)
- 4-Chloro-5-(2-chloroethyl)-6-methylpyrimidin-2(1h)-imine (CAS 306314-90-9)
- 3-Allyl-5-methoxy-4-(prop-2-yn-1-yloxy)benzaldehyde (CAS 872183-39-6)
- 6-Bromo-3-iodoimidazo[1,2-α]pyridine (CAS 474706-74-6)
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- 3,5-dimethyl-2-phenylmorpholine (CAS 1218345-44-8)
- Semaglutide impurity 45 (CAS CATO-C4X-222645)
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