Methyl 3-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate CAS 899725-34-9
| CAS No. | 899725-34-9 |
| Molecular Formula | C20H19ClN2O4S2 |
| Molecular Weight | 450.96 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Methyl 3-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899725-34-9), molecular formula C20H19ClN2O4S2 and molecular weight 450.96 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C20H19ClN2O4S2, Methyl 3-((4-(3-chlorophenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 450.96 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H19ClN2O4S2 |
| Molecular Weight | 450.96 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Methyl Standards
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- (5E)-5-[(2-{[(4-chlorophenyl)methyl]sulfanyl}-5-nitrophenyl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 301193-96-4)
- 2-[(2-Chlorophenyl)methanesulfonyl]-4,5-diphenyl-1-propyl-1H-imidazole (CAS 339277-73-5)
- Methyl 2-(2-(4-chlorophenyl)acetamido)-5-(dipropylcarbamoyl)-4-methylthiophene-3-carboxylate (CAS 335408-88-3)
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Recommended Standards
- 4-Chloro-N-(4-(N-phenethylsulfamoyl)phenyl)benzenesulfonamide (CAS 606922-74-1)
- N,N’-(4-Chloro-1,2-phenylene)bis(4-methylbenzenesulfonamide) (CAS 27185-54-2)
- (S)-N-((S)-1-(((S)-1-Chloro-6-guanidino-2-oxohexan-3-yl)amino)-1-oxo-3-phenylpropan-2-yl)pyrrolidine-2-carboxamide (CAS 65149-23-7)
- H-D-Phe-Pro-Arg-chloromethylketone (CAS 71142-71-7)
- 4-Cyano-3-(trifluoromethyl)benzenesulfonyl Chloride (CAS 1016701-95-3)
- 1-(2-Cyanoethyl)-1H-indole-6-carboxylic acid (CAS 885266-69-3)
- A 26771B (CAS 56448-20-5)
- N-((5-((2-(Hydroxyamino)-2-oxoethyl)thio)-4-methyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide (CAS 878065-02-2)
- Trans-2-nonenoic acid methyl ester (CAS 14952-06-8)
- 6-Methoxy-3-methyl-2-(2-nitrovinyl)benzofuran (CAS 37733-64-5)
- 4-(3-Chloro-2-methylpropoxy)tetrahydro-2h-pyran (CAS 1339893-34-3)
- N-[2-amino-1-(aminocarbonothioyl)-2-oxoethyl]benzamide (CAS 31785-09-8)
- Monomethylarsonous Acid (CAS 25400-23-1)
- Semaglutide Impurity 167 (CAS CATO-C4X-2226167)
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