7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one CAS 868233-87-8
| CAS No. | 868233-87-8 |
| Molecular Formula | C17H21ClN2O2S |
| Molecular Weight | 352.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one (CAS 868233-87-8), molecular formula C17H21ClN2O2S and molecular weight 352.88 g/mol, is a CATO reference standard with documented purity and traceability.
7-Chloro-2-((3,3-dimethyl-2-oxobutyl)thio)-3-isopropylquinazolin-4(3H)-one (C17H21ClN2O2S) contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine 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. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C17H21ClN2O2S |
| Molecular Weight | 352.88 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- Benzyl 4-((2-chloro-N-ethylacetamido)methyl)piperidine-1-carboxylate (CAS 1353945-64-8)
- 4-[(2-Chloro-acetyl)-isopropyl-amino]-piperidine-1-carboxylic acid benzyl ester (CAS 1353945-72-8)
- benzyl (2-(2-chloro-N-ethylacetamido)cyclohexyl)carbamate (CAS 1353946-55-0)
- Benzyl 3-((2-chloro-N-ethylacetamido)methyl)piperidine-1-carboxylate (CAS 1353954-36-5)
- Benzyl 3-((2-chloro-N-isopropylacetamido)methyl)pyrrolidine-1-carboxylate (CAS 1353954-54-7)
- (R)-3-[(2-Chloro-acetyl)-isopropyl-amino]-pyrrolidine-1-carboxylic acid benzyl ester (CAS 1353956-15-6)
- Benzyl 2-((2-chloro-N-isopropylacetamido)methyl)pyrrolidine-1-carboxylate (CAS 1353964-08-5)
- Benzyl (4-(2-chloro-N-ethylacetamido)cyclohexyl)carbamate (CAS 1353967-76-6)
Recommended Standards
- 2-(2-Chlorophenyl)-1-phenyl-5,6,7,8-tetrahydroquinazoline-4(1H)-thione (CAS 62721-97-5)
- Glycopyrronium Bromide Impurity 22 (CAS CATO-C4X-181722)
- 1-{[1,1'-biphenyl]-4-yl}-3-[(4-chlorophenyl)sulfanyl]propan-1-one (CAS 882748-91-6)
- Hexythiazox (CAS 78587-05-0)
- n-(5-Bromo-2-methylphenyl)tetrahydro-2h-thiopyran-3-amine (CAS 1340361-64-9)
- 1-(3-((2-Aminoethyl)(methyl)amino)piperidin-1-yl)ethanone (CAS 1353957-98-8)
- 1-(4-Iodophenyl)tetrazole (CAS 249291-82-5)
- 1-tert-butyltriazol-4-amine (CAS 1428987-38-5)
- Sivelestat Impurity 14 (CAS CATO-C4X-212316)
- Limaprost Impurity 7 (CAS CATO-C4X-21457)
- N-(3-(tert-butyl)bicyclo[1.1.1]Pentan-1-yl)-N-methylacetamide (CAS 1886967-08-3)
- 1-(3,4,5-Trichlorophenyl)ethanone (CAS 35981-65-8)
- 4-Amino-2-chloro-N-(3,4-dimethoxyphenyl)benzamide (CAS 1018542-37-4)
- Semaglutide Impurity 177 (CAS CATO-C4X-2226177)
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