3-[N-(3,5-dimethylphenyl)4-bromobenzenesulfonamido]propanoic acid CAS 565168-54-9
| CAS No. | 565168-54-9 |
| Molecular Formula | C17H18BrNO4S |
| Molecular Weight | 412.30 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.
3-[N-(3,5-dimethylphenyl)4-bromobenzenesulfonamido]propanoic acid (CAS 565168-54-9), molecular formula C17H18BrNO4S and molecular weight 412.30 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C17H18BrNO4S, 3-[N-(3,5-dimethylphenyl)4-bromobenzenesulfonamido]propanoic acid contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 412.30 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 3-[N-(3,5-dimethylphenyl)4-bromobenzenesulfonamido]propanoic acid 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 | C17H18BrNO4S |
| Molecular Weight | 412.30 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.) | 1984 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Related N Standards
- N-(2,6-dimethylphenyl)-5-oxo-2-(trifluoromethyl)-5H-chromeno[2,3-b]pyridine-3-carboxamide (CAS 241127-04-8)
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- 4-(3-(3,4-Dimethylphenyl)-3-oxopropyl)-1,2-diphenylpyrazolidine-3,5-dione (CAS 5539-99-1)
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- 4-(3-(3,4-Dimethylphenyl)-1,2,4-oxadiazol-5-yl)-2-(4-fluorophenyl)isoquinolin-1(2H)-one (CAS 1326849-89-1)
- 4-(3-(3,4-Dimethylphenyl)-1,2,4-oxadiazol-5-yl)-2-(3-fluorophenyl)isoquinolin-1(2H)-one (CAS 1326888-27-0)
- 6-((3,5-Dimethylphenyl)selanyl)-1-((2-hydroxyethoxy)methyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione (CAS 172255-88-8)
Recommended Standards
- 1-(5-Bromothiophen-2-yl)-2-((5-(4-fluorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)ethan-1-one (CAS 565415-03-4)
- 3-Bromo-2-phenyl-1-(phenylsulfonyl)-1H-indole (CAS 88207-50-5)
- 1-((5-Bromo-4-phenoxypyridin-3-yl)sulfonyl)-4-methylpiperazine (CAS 1352530-42-7)
- 4-Bromo-N-(4-(phenylethynyl)phenyl)benzenesulfonamide (CAS 439097-33-3)
- 5,6-Diamino-1-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidin-4-one (CAS 875-41-2)
- 3’-Methoxy-4’-nitroflavone (CAS 145370-39-4)
- 5-(4-(Benzyloxy)-3-bromo-5-ethoxyphenyl)-1,3,4-oxadiazol-2-amine (CAS 1706439-80-6)
- (1-(Furan-2-ylmethyl)azetidin-3-yl)methanol (CAS 1490328-72-7)
- 3-Bromo-8-hydroxy-6,6-dimethylnaphtho[2,3-b]benzofuran-11(6H)-one (CAS 1256588-93-8)
- N-(2-bromo-4-nitrophenyl)-2-cyanoacetamide (CAS 955288-37-6)
- 3-(N-(4-fluorophenyl)-N-methylsulfamoyl)thiophene-2-carboxylic acid (CAS 950270-33-4)
- 1-Methylethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 184174-82-1)
- 2-Amino-4-chloro-6-oxo-1,6-dihydropyrimidine-5-carbonitrile (CAS 85840-23-9)
- Semaglutide Impurity 143 (CAS CATO-C4X-2226143)
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