6-bromo-3-(2-furylmethyl)-2-mercaptoquinazolin-4(3H)-one CAS 403727-56-0
| CAS No. | 403727-56-0 |
| Molecular Formula | C13H9BrN2O2S |
| Molecular Weight | 337.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
6-bromo-3-(2-furylmethyl)-2-mercaptoquinazolin-4(3H)-one (C13H9BrN2O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, bromine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
6-bromo-3-(2-furylmethyl)-2-mercaptoquinazolin-4(3H)-one (CAS 403727-56-0), molecular formula C13H9BrN2O2S and molecular weight 337.19 g/mol, is a CATO reference standard with documented purity and traceability.
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.
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 | C13H9BrN2O2S |
| Molecular Weight | 337.19 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 3-(2,5-Dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]Dec-3-en-4-yl ethyl carbonate (CAS 382608-10-8)
- 3-O-Benzyl 17α-Estradiol (CAS 23880-59-3)
- 4-(Bromomethyl)-1-iodo-2-methoxybenzene (CAS 1379341-45-3)
- 5-Hydroxy-1-methyl-5-phenylpyrrolidin-2-one (CAS 23132-30-1)
- 3,6-Dichloro-2-fluorobenzenesulfonamide (CAS 1804514-32-6)
- 2-(Furan-2-yl)benzo[d]oxazole (CAS 881-60-7)
- N-(4-(N-(Thiazol-2-yl)sulfamoyl)phenyl)-2-(thiophene-3-carboxamido)oxazole-4-carboxamide (CAS 1421484-77-6)
- 3-Amino-5-(ethylamino)-1-methyl-1H-pyrazole-4-carbonitrile (CAS 512845-63-5)
- 2-(Aminomethyl)cyclopropanecarboxylic acid (CAS 215597-45-8)
- Semaglutide Impurity 161 (x TFA Salt) (CAS CATO-C4X-2226161)
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