Methyl 3-(2-{[(4-fluorophenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate CAS 477872-80-3
| CAS No. | 477872-80-3 |
| Molecular Formula | C22H15FN2O4S |
| Molecular Weight | 422.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Methyl 3-(2-{[(4-fluorophenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate.
Methyl 3-(2-{[(4-fluorophenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate (CAS 477872-80-3) is a high-purity analytical reference standard with the molecular formula C22H15FN2O4S and a molecular weight of 422.43 g/mol.
Structurally, Methyl 3-(2-{[(4-fluorophenyl)carbamoyl]carbonyl}-1H-pyrrol-1-yl)-1-benzothiophene-2-carboxylate (C22H15FN2O4S) 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 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 422.43 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).
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 | C22H15FN2O4S |
| Molecular Weight | 422.43 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-(2-Methylbenzyl)pyrrolidine (CAS 887594-99-2)
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- N-(3-acetylphenyl)-3-fluorobenzamide (CAS 194783-81-8)
- 34565-32-7 (2S)-2-((1S)-1-Hydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one (CAS 34565-32-7)
- Allo-D-Ile12-Tirzepatide (CAS CATO-CPTD788963)
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