2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-Dimethyl Ester CAS 160384-39-4
| CAS No. | 160384-39-4 |
| Molecular Formula | C24H25ClN4O6S |
| Molecular Weight | 533.00 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-Dimethyl Ester (CAS 160384-39-4), molecular formula C24H25ClN4O6S and molecular weight 533.00 g/mol, is a CATO reference standard with documented purity and traceability.
2-[5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitrophenyl]-propanedioic Acid 1,3-Dimethyl Ester (C24H25ClN4O6S) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C24H25ClN4O6S |
| Molecular Weight | 533.00 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Benzisothiazol Standards
- 5-[2-[4-(1,2-Benzisothiazol-3-yl)-1-piperazinyl]ethyl]-4-chloro-2-nitro-benzeneacetic Acid (CAS 160384-40-7)
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- 4-[4-(1,2-Benzisothiazol-3-yl)piperazin-1-yl]-4-oxobutanoic acid (CAS 1030429-68-5)
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Recommended Standards
- Bis(perfluorophenyl)(phenyl)stibane (CAS 21041-56-5)
- 3-(N-(2-(2-Chloro-4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)phenoxy)ethyl)sulfamoyl)benzene-1-sulfonyl fluoride (CAS 24892-25-9)
- Flomoxef Impurity 1 (CAS 68313-94-0)
- 7-Phenylacetamide-3-chloromethyl-3-cephem-4-carboxylic Acid Diphenylmethyl Ester (CAS 64308-63-0)
- 7-bromo-2,4-dichloro-1,8-naphthyridine (CAS 1824090-20-1)
- 2-(m-Tolylamino)thiazole-4-carboxylic acid (CAS 165682-77-9)
- 2-Amino-N-(3-hydroxybutyl)-3-methylbutanamidehydrochloride (CAS 1246172-69-9)
- Kresoxim-Methyl (CAS 143390-89-0)
- 2-(1-Methyl-3-phenyl-1H-1,2,4-triazol-4(5H)-yl)ethanol (CAS 94655-96-6)
- N-Phenyl-1,4-dihydroindeno[1,2-c]pyrazol-3-amine (CAS 872872-12-3)
- [(1S,2R)-1-Benzyl-2-hydroxy-3-[isobutyl-[(4-aminophenyl)sulfonyl]amino] propyl]-carbamic Acid tert-Butyl Ester (CAS 183004-94-6)
- Diltiazem Maleate (CAS 139492-78-7)
- N-Nitroso Linagliptin impurity 138 (CAS CATO-C4X-1101138)
- Semaglutide impurity 203 (CAS CATO-C4X-2226203)
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