(4-((1H-Imidazol-1-yl)methyl)phenyl)(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone CAS 1797689-29-2
| CAS No. | 1797689-29-2 |
| Molecular Formula | C20H18FN3O3S |
| Molecular Weight | 399.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (4-((1H-Imidazol-1-yl)methyl)phenyl)(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(4-((1H-Imidazol-1-yl)methyl)phenyl)(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone (CAS 1797689-29-2) is a high-purity analytical reference standard with the molecular formula C20H18FN3O3S and a molecular weight of 399.44 g/mol.
Structurally, (4-((1H-Imidazol-1-yl)methyl)phenyl)(3-((4-fluorophenyl)sulfonyl)azetidin-1-yl)methanone (C20H18FN3O3S) 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 399.44 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.
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 | C20H18FN3O3S |
| Molecular Weight | 399.44 g/mol |
| 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.) | 1994 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related H Standards
- 1-(3-(1h-Imidazol-1-yl)propyl)-4-benzoyl-3-hydroxy-5-(p-tolyl)-1,5-dihydro-2h-pyrrol-2-one (CAS 309270-92-6)
- 3-[3-(1H-Imidazol-1-yl)propyl]-6,7-dimethoxy-2-[(2-methylpropyl)sulfanyl]-3,4-dihydroquinazolin-4-imine (CAS 691870-01-6)
- 3-(1H-Imidazol-1-yl)-6-(4-(styrylsulfonyl)piperazin-1-yl)pyridazine (CAS 1351664-23-7)
- 1-(3-(1H-imidazol-1-yl)propyl)-4-benzoyl-5-(4-fluorophenyl)-3-hydroxy-1,5-dihydro-2H-pyrrol-2-one (CAS 350678-63-6)
- 4-(6-(1H-Imidazol-1-yl)-2-methylpyrimidin-4-yl)-N-(3-ethylphenyl)piperazine-1-carboxamide (CAS 1171764-79-6)
- 1-(1H-Imidazol-1-yl)docosan-1-one (CAS 883835-84-5)
- 4-((3-(1H-imidazol-1-yl)propyl)amino)-3-methyl-1-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (CAS 866040-31-5)
- 4-((4-(6-(1H-Imidazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)sulfonyl)-3,5-dimethylisoxazole (CAS 1172469-06-5)
Recommended Standards
- 2-(((9H-fluoren-9-yl)methoxy)carbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (CAS 171859-74-8)
- 5,8-Dioxa-2,11-diazatetradecanoic acid, 14-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-12-oxo-, 1,1-dimethylethyl ester (CAS 1801876-84-5)
- 1-(4-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)phenyl)cyclopropane-1-carboxylic acid (CAS 1566216-08-7)
- methyl 2-[2-(2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}ethoxy)ethoxy]acetate (CAS 1820619-06-4)
- (E)-N'-Butyl-N-phenylpyridine-3-carboximidamide (CAS 338419-95-7)
- Tert-butyl (3-(ethylamino)-3-oxopropyl)carbamate (CAS 1016530-31-6)
- Potassium tetrakis(4-tert-butylphenyl)borate (CAS 401818-78-8)
- Thalidomide-O-amido-C8-NH2 (hydrochloride) (CAS 2415263-07-7)
- ethyl 5-(chloromethyl)-1,2,4-oxadiazole-3-carboxylate (CAS 1009620-97-6)
- 6-Ethyl-2-methoxynaphthalen-1-amine (CAS 1146894-92-9)
- 4-[4-(Trifluoromethyl)phenyl]phenylacetic acid (CAS 406188-98-5)
- 202326-56-5 (3-~13~C)Aspartic acid DTXSID60583940 (CAS 202326-56-5)
- Apremilast Impurity 55 (CAS 885268-06-4)
- Semaglutide impurity 236 (CAS CATO-C4X-2226236)
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