4-[2-(4-fluorophenyl)ethyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one CAS 565179-71-7
| CAS No. | 565179-71-7 |
| Molecular Formula | C19H31FN2OS2 |
| Molecular Weight | 386.59 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 4-[2-(4-fluorophenyl)ethyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-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.
4-[2-(4-fluorophenyl)ethyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one (CAS 565179-71-7) is a high-purity analytical reference standard with the molecular formula C19H31FN2OS2 and a molecular weight of 386.59 g/mol.
Based on its molecular formula C19H31FN2OS2, 4-[2-(4-fluorophenyl)ethyl]-11-methyl-5-sulfanyl-8-thia-4,6-diazatricyclo[7.4.0.0²,⁷]trideca-1(9),2(7),5-trien-3-one contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 386.59 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Physical & Chemical Properties
| Molecular Formula | C19H31FN2OS2 |
| Molecular Weight | 386.59 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related fluorophenyl Standards
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Recommended Standards
- 2-Arachidonoyl Glycerol-d (CAS 924894-97-3)
- 1-(2-Chloro-3-(trifluoromethyl)benzyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (CAS 1604036-98-7)
- 2-(4-Pentylcyclohexyl)-5-((2,4,6-trimethylbenzyl)thio)-1,3,4-oxadiazole (CAS 860610-90-8)
- 2,4-Diphenyl-6-(trichloromethyl)-5H-1,3,5,2-triazaphosphinine 2-oxide (CAS 255869-93-3)
- 3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)difluoromethyl)-1H-1,2,4-triazol-5-amine (CAS 1823182-90-6)
- Methyl 2-(tert-butyl)-1H-imidazole-5-carboxylate (CAS 1248414-68-7)
- 1,3-Dimethyl-4-(methylamino)-2,5-dioxoimidazolidine-4-carboxylic acid (CAS 101193-76-4)
- 5-Chloro-2-Methylaniline (CAS 95-79-4)
- Thiazolo[5,4-h]isoquinoline (CAS 36328-41-3)
- 3-Chlorosulfonyl-5-trifluoromethyl-4-(2-trifluoromethyl-phenyl)-thiophene-2-carboxylic acid methyl ester (CAS 1431555-27-9)
- Methyl 5-bromo-3-hydroxythiophene-2-carboxylate (CAS 130228-59-0)
- N-isobutyl-5-methylisoxazole-3-carboxamide (CAS 27144-31-6)
- (S)-2-((tert-Butoxycarbonyl)amino)-2-(2,4-difluorophenyl)acetic acid (CAS 1228558-71-1)
- Semaglutide impurity 55 (CAS CATO-C4X-222655)
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