3-((4-((5-Bromopyridin-2-yl)diazenyl)-3-hydroxyphenyl)(propyl)amino)propane-1-sulfonic acid CAS 81608-06-2
| CAS No. | 81608-06-2 |
| Molecular Formula | C17H21BrN4O4S |
| Molecular Weight | 457.34 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 457.34 g/mol gives 3-((4-((5-Bromopyridin-2-yl)diazenyl)-3-hydroxyphenyl)(propyl)amino)propane-1-sulfonic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-((4-((5-Bromopyridin-2-yl)diazenyl)-3-hydroxyphenyl)(propyl)amino)propane-1-sulfonic acid (CAS 81608-06-2), molecular formula C17H21BrN4O4S and molecular weight 457.34 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, 3-((4-((5-Bromopyridin-2-yl)diazenyl)-3-hydroxyphenyl)(propyl)amino)propane-1-sulfonic acid is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 457.34 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C17H21BrN4O4S |
| Molecular Weight | 457.34 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1980 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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