N-Allyl-2-((3,4-dichlorophenyl)amino)-6-nitro-4-oxo-3,4-dihydroquinazoline-8-carboxamide CAS 331645-84-2
| CAS No. | 331645-84-2 |
| Molecular Formula | C18H13Cl2N5O4 |
| Molecular Weight | 434.23 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.
N-Allyl-2-((3,4-dichlorophenyl)amino)-6-nitro-4-oxo-3,4-dihydroquinazoline-8-carboxamide (CAS 331645-84-2) is a high-purity analytical reference standard with the molecular formula C18H13Cl2N5O4 and a molecular weight of 434.23 g/mol.
N-Allyl-2-((3,4-dichlorophenyl)amino)-6-nitro-4-oxo-3,4-dihydroquinazoline-8-carboxamide (C18H13Cl2N5O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, 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.
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 | C18H13Cl2N5O4 |
| Molecular Weight | 434.23 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 5 |
Related N Standards
- 2-((3-Allyl-6,8-dibromo-4-oxo-3,4-dihydroquinazolin-2-yl)thio)acetic acid (CAS 886500-94-3)
- 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,3-dimethylphenyl)acetamide (CAS 538337-07-4)
- 2-((4-Allyl-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,5-dimethylphenyl)acetamide (CAS 539812-69-6)
- N-((4-allyl-5-(benzylthio)-4H-1,2,4-triazol-3-yl)methyl)-4-chlorobenzenesulfonamide (CAS 338422-29-0)
- 3-(4-Allyl-5-(allylthio)-4H-1,2,4-triazol-3-yl)-1-(2,4-dichlorobenzyl)pyridin-2(1H)-one (CAS 477853-07-9)
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-bromophenyl)acetamide (CAS 618879-89-3)
- 2-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamide (CAS 442642-40-2)
- N-allyl-2-((4-chloro-N-(3-(trifluoromethyl)phenyl)phenyl)sulfonamido)acetamide (CAS 337922-21-1)
Recommended Standards
- 1-Ethyl-4-hydroxy-N-(4-iodophenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide (CAS 300716-33-0)
- 1,1,1,2,2,3,3,4,4,5,5,6,6-TRidecafluoro-8-(pentyloxy)octane (CAS 1193009-93-6)
- (E)-2-(3,5-Dimethoxystyryl)-6-iodoquinazolin-4(3H)-one (CAS 922189-13-7)
- tert-Butyl methyl((tributylstannyl)methyl)carbamate (CAS 150691-44-4)
- 2-Bromo-3-(tert-butyl)phenol (CAS 1243363-78-1)
- Benzyl N-[(dimethylcarbamoyl)(phenyl)methyl]carbamate (CAS 1393441-61-6)
- (2-Methylphenyl)-N-(tetrahydro-2-furanylmethyl)methanamine hydrochloride (CAS 1048640-73-8)
- 4-Methyl-D-phenylalanine (CAS 49759-61-7)
- Cimicoxib (CAS 265114-23-6)
- 7-(Piperazin-1-yl)heptanenitrile (CAS 5625-60-5)
- rel-(3R,4S,5R)-Tetrahydro-2H-pyran-2,3,4,5-tetraol (CAS 10257-31-5)
- 3-Ethyl-4-methylaniline (CAS 104715-64-2)
- 5-chloro-8-methoxy-1,2,3,4-tetrahydroquinoline hydrochloride (CAS 1251925-38-8)
- Semaglutide impurity 67 (CAS CATO-C4X-222667)
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