2-(4,5-Dimethoxy-2-(N-(4-((trifluoromethyl)thio)phenyl)sulfamoyl)phenyl)acetic acid CAS 886499-12-3
| CAS No. | 886499-12-3 |
| Molecular Formula | C17H16F3NO6S2 |
| Molecular Weight | 451.44 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
2-(4,5-Dimethoxy-2-(N-(4-((trifluoromethyl)thio)phenyl)sulfamoyl)phenyl)acetic acid (CAS 886499-12-3) is a high-purity analytical reference standard with the molecular formula C17H16F3NO6S2 and a molecular weight of 451.44 g/mol.
The molecular framework of 2-(4,5-Dimethoxy-2-(N-(4-((trifluoromethyl)thio)phenyl)sulfamoyl)phenyl)acetic acid (C17H16F3NO6S2) is characterized by a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine 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.
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 | C17H16F3NO6S2 |
| Molecular Weight | 451.44 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 2 |
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Recommended Standards
- 1-Methoxy-9H-fluorene (CAS 26060-14-0)
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- 2-(5-(4-Amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)indolin-1-yl)-1-(3-(trifluoromethyl)phenyl)ethanone (CAS 1428326-09-3)
- 5-(4-Ethoxyphenyl)-4-(3-fluoro-4-methoxybenzoyl)-1-(furan-2-ylmethyl)-3-hydroxy-1H-pyrrol-2(5H)-one (CAS 618073-28-2)
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- (2R,7aS)-Ethyl 2-fluoro-5-oxohexahydro-1H-pyrrolizine-7a-carboxylate (CAS 2101633-12-7)
- 1-(2-Chlorophenyl)cyclopropanamine (CAS 870708-39-7)
- 1-((2-Fluorophenoxy)methyl)-1h-pyrazol-4-amine (CAS 1006457-12-0)
- 5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-ethyl-1h-imidazole-2-thiol (CAS 852388-84-2)
- tert-Butyl 3-(cycloheptylamino)propanoate (CAS 1221346-05-9)
- (4-(Aminomethyl)piperidin-1-yl)(3-bromophenyl)methanone hydrochloride (CAS 1576993-26-4)
- 5-chloro-1-ethyl-1H-1,2,3-triazole-4-carboxylic acid (CAS 1432747-14-2)
- 4-Chloro-6-(4-(2-hydroxyethyl)piperazin-1-yl)pyrimidine-5-carbaldehyde (CAS 1427460-95-4)
- Des-Ile27-Tirzepatide (CAS CATO-CPTD788946)
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