4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(3-isothiocyanatobenzyl)pyridin-1-ium bromide CAS 155863-01-7
| CAS No. | 155863-01-7 |
| Molecular Formula | C25H20N3O2S |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution, 4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(3-isothiocyanatobenzyl)pyridin-1-ium bromide is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 506.42 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
4-(2-(Chroman-6-yl)oxazol-5-yl)-1-(3-isothiocyanatobenzyl)pyridin-1-ium bromide (CAS 155863-01-7), molecular formula C25H20N3O2SBr and molecular weight 506.42 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C25H20N3O2S Br |
| Molecular Weight | 506.42 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- Ethyl 2-(2,5-dichlorophenyl)imidazo[1,2-a]pyridine-3-carboxylate (CAS 1426521-21-2)
- N-(2,4-difluorophenyl)-6-methoxy-2H-chromene-3-carboxamide (CAS 338760-46-6)
- 3-(Phenylsulfonyl)-8-azabicyclo[3.2.1]octane hydrochloride (CAS 1135000-80-4)
- 2-Bromo-6-chloro-4-fluorophenyl isothiocyanate (CAS 1000577-54-7)
- 4-((4-(N,N-diallylsulfamoyl)phenyl)amino)-4-oxobutanoic acid (CAS 713112-28-8)
- Fluconazole Impurity 75 (CAS CATO-C4X-101975)
- 4-Iodo-oxazole-5-carboxylic acid ethyl ester (CAS 220580-92-7)
- 3'-Fluoro-[1,1'-biphenyl]-4-amine (CAS 5728-66-5)
- 5-Hydroxy Propafenone-d5 Hydrochloride (CAS 1215370-87-8)
- Semaglutide Impurity 158 (x TFA Salt) (CAS CATO-C4X-2226158)
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