2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-3-oxopropyl)quinazolin-4(3H)-one CAS 745035-11-4
| CAS No. | 745035-11-4 |
| Molecular Formula | C21H21FN4O2 |
| Molecular Weight | 380.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 380.42 g/mol gives 2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-3-oxopropyl)quinazolin-4(3H)-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-3-oxopropyl)quinazolin-4(3H)-one (CAS 745035-11-4), molecular formula C21H21FN4O2 and molecular weight 380.42 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(3-(4-(4-Fluorophenyl)piperazin-1-yl)-3-oxopropyl)quinazolin-4(3H)-one (C21H21FN4O2) contains a steroid core, an amide 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 380.42 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C21H21FN4O2 |
| Molecular Weight | 380.42 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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.) | 1986 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
Related Fluorophenyl Standards
- 1-(2-Fluorophenyl)-3-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)cyclohexyl]urea (CAS 1396799-60-2)
- 2-(3-Fluorophenyl)-N-(1-(3-(pyridin-3-yl)-1,2,4-oxadiazol-5-yl)cyclohexyl)acetamide (CAS 1396860-44-8)
- 3-{1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775391-17-7)
- 3-{1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl}-4-phenyl-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775538-70-9)
- N-(3-(2-((2-Fluorophenyl)amino)thiazol-4-yl)phenyl)isoxazole-5-carboxamide (CAS 1796947-16-4)
- 4-((4-Fluorophenyl)sulfonyl)-2-(furan-2-yl)-N-(3-methoxypropyl)oxazol-5-amine (CAS 862793-84-8)
- 4-((5-(4-Fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl)methyl)benzoic acid (CAS 685543-56-0)
- 3-(3-(4-Fluorophenyl)-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)propanoic acid (CAS 777857-51-9)
Recommended Standards
- 2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-5-methylthiazole-4-carboxylic acid (CAS 885952-97-6)
- 2-(5-(Dimethylamino)naphthalene-1-sulfonamido)pentanedioic acid (CAS 68973-58-0)
- 2-(((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)methyl)thiazole-5-carboxylic acid (CAS 2137636-91-8)
- 2-(Furan-2-yl)-4-(phenylsulfonyl)-N-(p-tolyl)oxazol-5-amine (CAS 862793-28-0)
- 2-chloro-N'-(1-methylethylidene)-6-(2,2,2-trifluoroethoxy)isonicotinohydrazide (CAS 287979-31-1)
- methyl 4-fluoro-2-oxo-3H-1,3-benzoxazole-5-carboxylate (CAS 2387598-80-1)
- (6,7-Dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-acetic acid hydrochloride (CAS 1179364-74-9)
- 4-Methyl-6-(trifluoromethyl)pyrimidine-2-thiol (CAS 78018-17-4)
- 4-Bromo-N-(4-fluorobenzyl)-1h-pyrrole-2-carboxamide (CAS 940779-82-8)
- 3-Chloro-N-[3-(hex-1-yn-1-yl)phenyl]benzamide (CAS 861209-78-1)
- 3-Fluoro-5-phenylbenzonitrile (CAS 1214352-57-4)
- 3,5-Difluoro-4-formyl-N-methylbenzamide (CAS 1308849-85-5)
- 5-(Thiophen-3-ylmethyl)-1,2,4-oxadiazole-3-carboxylic acid (CAS 1339165-28-4)
- Semaglutide impurity 273 (CAS CATO-C4X-2226273)
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