5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid CAS 1803580-64-4
| CAS No. | 1803580-64-4 |
| Molecular Formula | C16H21ClN2O6S |
| Molecular Weight | 404.87 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid 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.
5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid (CAS 1803580-64-4), molecular formula C16H21ClN2O6S and molecular weight 404.87 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C16H21ClN2O6S, 5-[4-(5-chloro-2-methoxybenzenesulfonyl)piperazin-1-yl]-5-oxopentanoic acid 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 404.87 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C16H21ClN2O6S |
| Molecular Weight | 404.87 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1995 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Imidacloprid impurity 3 (CAS CATO-C4X-25413)
- Methyl 4-bromo-2-(dibromomethyl)-6-fluorobenzoate (CAS 2682114-33-4)
- Hexahydropyrano[3,4-c]pyrrole-7a(1H)-carboxylic acid (CAS 1935036-28-4)
- 2-Acetyl-6-(trifluoromethyl)isonicotinonitrile (CAS 1393573-81-3)
- 7-Fluoro-5-hydroxychromane-8-carbonitrile (CAS 2930045-38-6)
- 3-[2-Methyl-3-(trifluoromethyl)phenyl]propionic acid (CAS 1017777-98-8)
- 2-(Aminomethyl)-3-methylaniline (CAS 771574-26-6)
- 5-Bromo-3-(pyrrolidine-1-sulfonyl)pyridin-2-amine (CAS 869008-71-9)
- (S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-2-(4-chlorophenyl)acetic acid (CAS 1260590-28-0)
- 2-Chloro-6-ethoxyquinoline (CAS 1339909-31-7)
- Ethyl 5-amino-1-(pyridin-3-yl)-1H-pyrazole-3-carboxylate (CAS 1427023-96-8)
- Semaglutide impurity 91 (CAS CATO-C4X-222691)
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