2-((4-Chlorobenzyl)thio)-6,7-dimethoxy-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine CAS 439093-92-2
| CAS No. | 439093-92-2 |
| Molecular Formula | C25H21ClF3N3O2S |
| Molecular Weight | 519.97 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-((4-Chlorobenzyl)thio)-6,7-dimethoxy-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine (CAS 439093-92-2), molecular formula C25H21ClF3N3O2S and molecular weight 519.97 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-((4-Chlorobenzyl)thio)-6,7-dimethoxy-3-(3-(trifluoromethyl)benzyl)quinazolin-4(3H)-imine (C25H21ClF3N3O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine 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 519.97 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C25H21ClF3N3O2S |
| Molecular Weight | 519.97 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 |
Related Chlorobenzyl Standards
- 3-(2-Chlorobenzyl)-6,7-dimethoxy-2-((3-(trifluoromethyl)benzyl)thio)quinazolin-4(3H)-imine (CAS 860610-62-4)
- 3-(2-Chlorobenzyl)-2-((2,4-dichlorobenzyl)thio)-6,7-dimethoxyquinazolin-4(3H)-imine (CAS 866144-96-9)
- 3-(2-Chlorobenzyl)-6,8-diiodoquinazolin-4(3H)-one (CAS 302913-49-1)
- 4-Chlorobenzyl 4-(4-((2-oxo-2,3-dihydrobenzo[d]oxazol-6-yl)carbamoyl)thiazol-2-yl)piperazine-1-carboxylate (CAS 1141394-87-7)
- 4-(((2-Chlorobenzyl)sulfonyl)methyl)-5-(2,4-dichlorophenoxy)-1-methyl-3-(trifluoromethyl)-1H-pyrazole (CAS 318959-25-0)
- 7-(4-Chlorobenzyl)-1-(3-hydroxypropyl)-3-methyl-8-(3-(trifluoromethoxy)phenoxy)-3,7-dihydro-1H-purine-2,6-dione (CAS 1628287-16-0)
- 9a-(4-Chlorobenzyl)-7-hydroxy-4-(4-(2-(piperidin-1-yl)ethoxy)phenyl)-9,9a-dihydro-1H-fluoren-3(2H)-one (CAS 851107-28-3)
- 4-((4-Chlorobenzyl)thio)-7,9-dimethyl-2-((4-methylbenzyl)thio)pyrido[3',2':4,5]thieno[3,2-d]pyrimidine (CAS 672950-74-2)
Recommended Standards
- Encorafenib Impurity 12 (CAS CATO-C4X-324912)
- 1-[(5-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl}thiophen-2-yl)sulfonyl]-4-(4-fluorophenyl)piperazine (CAS 337924-67-1)
- [Bis(trifluoroacetoxy)iodo]pentafluorobenzene (CAS 14353-88-9)
- N-[5-[bis(2-acetoxy)ethyl]amino]-2-[(2-chloro-4-nitrophenyl)azo]phenylpropanamide (CAS 26850-12-4)
- 6,7-Dibromobenzo[d]thiazol-2-amine, 97% (CAS 127977-73-5)
- 4-Butoxy-N-((1-(cyclopropylsulfonyl)piperidin-4-yl)methyl)benzamide (CAS 1235354-26-3)
- Ethyl 1-methyl-2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylate (CAS 1422701-21-0)
- 2-(4-(2-Fluorophenyl)piperazin-1-yl)-1-(4-methoxyphenyl)ethan-1-ol (CAS 400075-59-4)
- Mitiglinide Impurity 7 (CAS 21307-97-1)
- [(S)-1-(2-Chloro-acetyl)-pyrrolidin-2-ylmethyl]-methyl-carbamic acid tert-butyl ester (CAS 1353994-96-3)
- Methyl 3-(4-aminophenyl)propanoate (CAS 35418-07-6)
- Deschloro Florfenicol (CAS 138872-73-8)
- (1R,2R)-2-Aminocyclobutan-1-ol hydrochloride (CAS 1909287-71-3)
- Semaglutide impurity 258 (CAS CATO-C4X-2226258)
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