Methyl 5-(3-(trifluoromethyl)benzamido)benzo[b]thiophene-2-carboxylate CAS 477847-54-4
| CAS No. | 477847-54-4 |
| Molecular Formula | C18H12F3NO3S |
| Molecular Weight | 379.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 379.35 g/mol gives Methyl 5-(3-(trifluoromethyl)benzamido)benzo[b]thiophene-2-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Methyl 5-(3-(trifluoromethyl)benzamido)benzo[b]thiophene-2-carboxylate (CAS 477847-54-4), a certified reference material (molecular formula C18H12F3NO3S, MW 379.35 g/mol) for analytical method development and quality control.
Structurally, Methyl 5-(3-(trifluoromethyl)benzamido)benzo[b]thiophene-2-carboxylate (C18H12F3NO3S) 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 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 379.35 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C18H12F3NO3S |
| Molecular Weight | 379.35 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related Methyl Standards
- {[2-(trifluoromethyl)phenyl]carbamoyl}methyl (2e)-3-(3-methoxyphenyl)prop-2-enoate (CAS 728927-30-8)
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Recommended Standards
- 2-Methoxyethyl 2-amino-4-(3,4-difluorophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate (CAS 445382-16-1)
- Gonyautoxin 5 (CAS 64296-25-9)
- {(2E)-3-Oxo-2-[4-(trifluoromethyl)benzylidene]-2,3-dihydro-4H-1,4-benzothiazin-4-yl}acetic acid (CAS 900345-90-6)
- 5-(Benzyloxy)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-4-oxo-4H-pyran-2-carboxamide (CAS 1021023-99-3)
- N,N'-(((6-Amino-1,3,5-triazine-2,4-diyl)bis(azanediyl))bis(9,10-dioxo-9,10-dihydroanthracene-4,1-diyl))dibenzamide (CAS 89923-46-6)
- 2-(Methylthio)-5-undecyl-1,3,4-oxadiazole (CAS 84143-68-0)
- N-(4-Bromophenyl)-4-hydroxy-2-oxo-1-pentyl-1,2-dihydroquinoline-3-carboxamide (CAS 300716-31-8)
- 2-(Difluoromethyl)-6-iodo-4-(trifluoromethoxy)pyridine-3-carboxaldehyde (CAS 1804916-51-5)
- 4-Chloro-3,5-bis(trifluoromethyl)benzoic acid (CAS 773108-93-3)
- 4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine (CAS 1823183-91-0)
- Ethyl 2-(6-bromo-2-methyl-4-oxoquinolin-1(4H)-yl)acetate (CAS 383902-93-0)
- 1-(Cyclopropylmethyl)-1H-pyrazole (CAS 1344382-51-9)
- N-((5-Chloropyrimidin-2-yl)carbamoyl)-2,6-difluorobenzamide (CAS 111604-44-5)
- Semaglutide impurity 60 (CAS CATO-C4X-222660)
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