Methyl 3-((4-(2,5-dimethylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate CAS 899977-59-4
| CAS No. | 899977-59-4 |
| Molecular Formula | C22H24N2O4S2 |
| Molecular Weight | 444.57 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of Methyl 3-((4-(2,5-dimethylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (C22H24N2O4S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage. 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.
Methyl 3-((4-(2,5-dimethylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899977-59-4), molecular formula C22H24N2O4S2 and molecular weight 444.57 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), Methyl 3-((4-(2,5-dimethylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H24N2O4S2 |
| Molecular Weight | 444.57 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 2 |
Related Methyl Standards
- Methyl 3-((4-(2,4-dimethylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899978-11-1)
- N-(2,5-dimethylphenyl)-2-((4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 333328-64-6)
- (E)-2-(2-((3,5-dimethylphenyl)amino)vinyl)-4-(2-fluorophenyl)-5-oxo-5H-indeno[1,2-b]pyridine-3-carbonitrile (CAS 866132-12-9)
- N-(2,5-Dimethylphenyl)-2-((1-(2,4-dimethylphenyl)-1H-tetrazol-5-yl)thio)-2-phenylacetamide (CAS 847840-96-4)
- (2Z)-2-({2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-5-nitrophenyl}methylidene)-1-azabicyclo[2.2.2]octan-3-one (CAS 866149-56-6)
- 1,4-Bis((2,6-dimethylphenyl)amino)anthracene-9,10-dione (CAS 7639-96-5)
- 1,4-Bis((3,4-dimethylphenyl)amino)anthracene-9,10-dione (CAS 74440-69-0)
- 2-[4-(2,5-Dimethylphenyl)piperazin-1-yl]-7-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one (CAS 1226443-42-0)
Recommended Standards
- N-(4-(((3,5-Dimethoxybenzyl)thio)methyl)thiazol-2-yl)-2-phenoxypropanamide (CAS 955857-64-4)
- Methyl 2-({6-[(4-methylphenyl)sulfanyl]-2-phenylpyrimidin-4-yl}sulfanyl)benzoate (CAS 478067-35-5)
- N-[3-(4-{3-[(thiophen-2-yl)formamido]propoxy}phenoxy)propyl]thiophene-2-carboxamide (CAS 860651-52-1)
- Methyl 2-((2-phenyl-6-((phenylthio)methyl)pyrimidin-4-yl)thio)benzoate (CAS 303147-65-1)
- (4R,5R)-5-((R)-1-Hydroxyethyl)-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CAS 141874-08-0)
- S-(Tetrahydrofuran-3-yl) ethanethioate (CAS 156380-32-4)
- N-(1-methyl-6-oxo-1,6-dihydropyridin-3-yl)thiophene-2-carboxamide (CAS 1241230-63-6)
- 4-(4-(Tert-butyl)benzoyl)-N-(2-(pyridin-2-yl)ethyl)-1H-pyrrole-2-carboxamide (CAS 439111-46-3)
- Brodifacoum (CAS 56073-10-0)
- 2-(Dioctadecylcarbamoyl)benzoic acid (CAS 127733-92-0)
- Levofloxacin EP Impurity I (CAS 178912-62-4)
- Ethyl 6-{[(pyridin-2-yl)methyl]carbamoyl}-4-(trifluoromethyl)pyridine-2-carboxylate (CAS 1210456-49-7)
- Ethyl 1-methyl-4-phenylazepane-4-carboxylate (CAS 77-15-6)
- Pancreatic Polypeptide (rat) (CAS 90419-12-8)
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