Methyl 3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate CAS 899725-40-7
| CAS No. | 899725-40-7 |
| Molecular Formula | C21H21ClN2O4S2 |
| Molecular Weight | 464.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Methyl 3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate is closely related to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies Methyl 3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899725-40-7), a certified reference material (molecular formula C21H21ClN2O4S2, MW 464.99 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (C21H21ClN2O4S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C21H21ClN2O4S2 |
| Molecular Weight | 464.99 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
- 1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole (CAS 439111-87-2)
- 9,9'-(5-Chloro-1,3-phenylene)diphenanthrene (CAS 1369431-34-4)
- N-(3-chloro-2-methylphenyl)-2-((5-(2-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 482650-60-2)
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- 4-Chloro-N,N-bis(4-methoxybenzyl)-3,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine (CAS 2852767-64-5)
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Recommended Standards
- 2-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 354795-49-6)
- N-((4-allyl-5-((3-methoxybenzyl)thio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (CAS 338422-27-8)
- Losartan EP Impurity F (CAS 1332713-64-0)
- (3-((4-(2-Chlorophenyl)piperazin-1-yl)sulfonyl)thiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 1291487-01-8)
- 10-(p-Tolyl)acridin-9(10H)-one (CAS 102023-92-7)
- 4-Hydroxy-6-methoxycoumarin (CAS 13252-84-1)
- N'-(1-(2,4-difluorophenyl)ethylidene)-4-methylbenzenesulfonohydrazide (CAS 2369613-58-9)
- Methyl-(2-pentafluoroethylsulfanyl-ethyl)-amine (CAS 1208078-72-1)
- (R)-4-((tert-butoxycarbonyl)amino)-5-methylhexanoic acid (CAS 197006-14-7)
- Daptomycin Impurity 2 (CAS 121869-35-0)
- rac-Anabasine DiHCl (rac-Nicotine EP Impurity G DiHCl) (CAS 143924-48-5)
- 2-Pentafluoroethyloxy-ethanol (CAS 91324-95-7)
- 2-(5-(Dimethylamino)-1H-tetrazol-1-yl)acetamide (CAS 321432-54-6)
- Tirzepatide Impurity 47 (CAS CATO-C4X-324047)
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