3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one CAS 76330-71-7
| CAS No. | 76330-71-7 |
| Molecular Formula | C22H22FN3O2S |
| Molecular Weight | 411.49 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (CAS 76330-71-7), molecular formula C22H22FN3O2S and molecular weight 411.49 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one (C22H22FN3O2S) 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 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 411.49 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.
As a certified reference material (CRM), 3-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one 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 | C22H22FN3O2S |
| Molecular Weight | 411.49 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1978 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Fluorobenzoyl Standards
- 3-[1-(4-Fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775337-52-4)
- 3-[1-(2-Fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775507-37-3)
- 3-[1-(3-Fluorobenzoyl)piperidin-4-yl]-4-[(4-methoxyphenyl)methyl]-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775526-12-9)
- N-(2-{4-[1-(4-fluorobenzoyl)-1H-pyrazol-3-yl]phenoxy}ethyl)-N-methylpyridin-2-amine (CAS 955976-52-0)
- 2-(4-Fluorobenzoyl)-6-(pyridin-3-yl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine (CAS 625377-67-5)
- 2-(4-Fluorobenzoyl)-4-(pyridin-3-yl)-5H,6H,7H,8H-thieno[2,3-b]quinolin-3-amine (CAS 340818-05-5)
- 1-(4-Fluorobenzoyl)-3,4-bis(4-methoxyphenyl)-1H-pyrazole (CAS 955975-67-4)
- 6-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-7-methyl-2H-thiazolo[3,2-a]pyrimidin-5(3H)-one (CAS 86487-64-1)
Recommended Standards
- (2S,5R)-tert-Butyl 2-ethyl-5-methylpiperazine-1-carboxylate acetate (CAS 906810-51-3)
- 4-(1H-Benzo[d]imidazol-2-yl)benzenesulfonic acid (CAS 50343-57-2)
- (1S)-2′-[[(1,1-Dimethylethyl)methylamino]carbonyl][1,1′-binaphthalene]-2-carboxylic acid (CAS 2646622-01-5)
- 4-(tert-Butyl)phenyl 2-(4-methoxyphenyl)quinoline-4-carboxylate (CAS 355433-88-4)
- 1-(4-Hydroxyquinazolin-3(4H)-yl)ethanone (CAS 94447-50-4)
- 4-(Difluoromethyl)-2-ethylbenzo[d]oxazole (CAS 1804469-69-9)
- 4-(2-Propyn-1-yloxy)benzenemethanol (CAS 34905-02-7)
- Cinacalcet Impurity 64 (CAS CATO-C4X-105964)
- 807297-46-7 9986AE C9H20N2 N-Methyl-2-(1-methyl-3-piperidinyl)-1-ethanamine (CAS 807297-46-7)
- 40737-92-6 Isocalolongic acid (CAS 40737-92-6)
- Perospirone Impurity 3 (CAS CATO-C4X-24583)
- 2-Fluoro-2-iodo-N-methylacetamide (CAS 883499-47-6)
- 2-(3-(Ethylcarbamoyl)-6-oxo-5,6-dihydropyridazin-1(4H)-yl)acetic acid (CAS 1710844-87-3)
- D-Ser39-Tirzepatide (CAS CATO-CPTD788679)
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