Ethyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate CAS 1023479-13-1
| CAS No. | 1023479-13-1 |
| Molecular Formula | C19H19F3N2O4S |
| Molecular Weight | 428.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies Ethyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 1023479-13-1), a certified reference material (molecular formula C19H19F3N2O4S, MW 428.43 g/mol) for analytical method development and quality control.
Structurally, Ethyl 2-(3-(4-(trifluoromethoxy)phenyl)ureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (C19H19F3N2O4S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 428.43 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.
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.
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 | C19H19F3N2O4S |
| Molecular Weight | 428.43 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 2-((4-((4-(Trifluoromethoxy)phenyl)sulfonamido)but-2-yn-1-yl)oxy)benzamide (CAS 1448047-35-5)
- 3-Phenyl-5-(1-((4-(trifluoromethoxy)phenyl)sulfonyl)azetidin-3-yl)-1,2,4-oxadiazole (CAS 1251670-37-7)
- 4-Phenyl-3-{1-[2-(trifluoromethoxy)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775458-57-5)
- 4-Phenyl-3-{1-[3-(trifluoromethoxy)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775467-92-9)
- 4-Phenyl-3-{1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl}-4,5-dihydro-1H-1,2,4-triazol-5-one (CAS 1775532-51-8)
- 2,2-Bis(4-(trifluoromethoxy)phenyl)cyclopropanecarbohydrazide (CAS 2563858-43-3)
- 1-[3-(trifluoromethoxy)phenyl]-3-{5-[2-(trifluoromethoxy)phenyl]-2-furyl}prop-2-en-1-one (CAS 259196-58-2)
- Ethyl 2-(3-(4-(trifluoromethoxy)phenyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 325995-03-7)
Recommended Standards
- 2-Benzoyl-3-{[3-(trifluoromethyl)benzenesulfinyl]methyl}-1-benzofuran (CAS 338423-91-9)
- 5-Benzoyl-4-benzoyloxymethyl-1,2-O-isopropylidene-a-D-xylofuranose (CAS 153914-97-7)
- 4-(1,2,2-Triphenylvinyl)phenyl dihydrogen phosphate (CAS 1955472-31-7)
- (4-((4-(2-((Tert-butyldimethylsilyl)oxy)ethyl)piperazin-1-yl)sulfonyl)phenyl)boronic acid (CAS 1704065-54-2)
- 2-Chloro-6-propoxypyrazine (CAS 136309-03-0)
- 6-Bromo-5-methoxy-N,N-dimethylnicotinamide (CAS 2058320-39-9)
- 3-(2-ethylphenoxy)propanoic acid (CAS 938125-47-4)
- 1-(4-Chlorophenyl)propan-1-amine (CAS 74788-46-8)
- 6-(Piperidin-1-yl)pyridin-2-amine trihydrochloride (CAS 2251053-42-4)
- (1-Methyl-2,3-dihydro-1h-indol-5-yl)methanamine (CAS 828242-01-9)
- 5-{[(4-Methylphenyl)sulfanyl]methyl}-2-furoic acid (CAS 915923-20-5)
- (2-Fluoro-4-(trifluoromethyl)phenyl)methanesulfonyl chloride (CAS 1357624-06-6)
- 1-(3-Nitrophenyl)ethanamine hydrochloride (CAS 92259-19-3)
- Semaglutide impurity 276 (CAS CATO-C4X-2226276)
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