2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroquinazoline CAS 339019-04-4
| CAS No. | 339019-04-4 |
| Molecular Formula | C22H18ClF3N2OS |
| Molecular Weight | 450.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroquinazoline is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroquinazoline (CAS 339019-04-4), molecular formula C22H18ClF3N2OS and molecular weight 450.90 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroquinazoline (C22H18ClF3N2OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 450.90 g/mol, it falls into the moderately-high-molecular-weight range. 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 2-{[(4-chlorophenyl)methyl]sulfanyl}-4-[3-(trifluoromethyl)phenoxy]-5,6,7,8-tetrahydroquinazoline 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.
Physical & Chemical Properties
| Molecular Formula | C22H18ClF3N2OS |
| Molecular Weight | 450.90 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related chlorophenyl Standards
- (E)-[(2-{[(4-chlorophenyl)methyl]sulfanyl}quinolin-3-yl)methylidene]amino 4-fluorobenzoate (CAS 478065-89-3)
- Ethyl 1-(4-chlorophenyl)-4-((4-methoxybenzyl)amino)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 866133-73-5)
- 2-((4-Chlorophenyl)sulfonamido)-3-methyl-N-(4-(trifluoromethoxy)phenyl)butanamide (CAS 317378-06-6)
- N-(4-chlorophenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 482652-85-7)
- Methyl 3-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899725-34-9)
- 7-(4-Chlorophenyl)-2-(4-(2,5-dimethylphenyl)piperazin-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one (CAS 1226426-96-5)
- (5E)-5-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 301193-96-4)
- 2-[(2-Chlorophenyl)methanesulfonyl]-4,5-diphenyl-1-propyl-1H-imidazole (CAS 339277-73-5)
Recommended Standards
- (6aR,9aS)-3-Chloro-2-(4-(6-fluoropyridin-2-yl)benzyl)-5-methyl-5,6a,7,8,9,9a-hexahydrocyclopenta[4,5]imidazo[1,2-a]pyrazolo[4,3-e]pyrimidin-4(2H)-one (CAS 1351961-58-4)
- Mosapride impurity 52 (CAS CATO-C4X-104552)
- Ethyl 3-[(E)-N'-[(2-chloro-6-fluorophenyl)methoxy]imidamido]-4-(dimethylamino)thieno[2,3-b]pyridine-2-carboxylate (CAS 341967-25-7)
- Mosapride Impurity 72 (CAS CATO-C4X-104472)
- 7-Chloro-1-cyclopropyl-1,4-dihydro-8-methyl-4-oxo-3-quinolinecarboxylic Acid (CAS 103877-20-9)
- 1-Phenethylazetidin-3-ol (CAS 1341952-55-3)
- 1-(2-methylphenyl)propan-2-amine (CAS 5580-32-5)
- EThyl (2s)-(2-formyl-1h-pyrrol-1-yl)(phenyl)acetate (CAS 1415811-51-6)
- 2-(Difluoromethyl)-3-hydroxy-5-methoxypyridine-6-sulfonamide (CAS 1806937-82-5)
- trans-Methyl 4-cyanocyclohexanecarboxylate (CAS 19145-95-0)
- 2-(Pyridin-4-yl)pyrimidin-5-amine (CAS 331808-95-8)
- (2,2-Difluoroethyl)benzene (CAS 10541-59-0)
- 1-((4-Chlorophenyl)sulfonyl)-4-(pyridin-2-yl)piperazine (CAS 333440-99-6)
- Neuropeptide Y (2-36) (human, rat) trifluoroacetate salt (CAS 123139-39-9)
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