1-(3-Chloro-4-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea CAS 548749-23-1
| CAS No. | 548749-23-1 |
| Molecular Formula | C24H21ClN4O2 |
| Molecular Weight | 432.90 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, 1-(3-Chloro-4-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (C24H21ClN4O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.0, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 432.90 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
1-(3-Chloro-4-methylphenyl)-3-(1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-3-yl)urea (CAS 548749-23-1) is a high-purity analytical reference standard with the molecular formula C24H21ClN4O2 and a molecular weight of 432.90 g/mol.
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 | C24H21ClN4O2 |
| Molecular Weight | 432.90 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1984 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- (1-Methyl-3-phenyl-5-(p-tolyloxy)-1H-pyrazol-4-yl)methyl 4-chlorobenzoate (CAS 318247-60-8)
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- (1-Methyl-3-phenyl-5-(p-tolyloxy)-1H-pyrazol-4-yl)methyl 2-chlorobenzoate (CAS 318247-46-0)
- Purvalanol B (CAS 212844-54-7)
- 1'-Benzyl-5-fluorospiro[1,2-dihydroindole-3,4'-piperidine] (CAS 1341040-27-4)
- 1-(Chloromethyl)-4-nitro-2-(trifluoromethyl)benzene (CAS 859027-07-9)
- tert-Butyl (rel-4-fluoro-4-(hydroxymethyl)cyclohexyl)carbamate (CAS 2231666-13-8)
- 1-tert-butyl-1H-imidazole-2-thiol (CAS 61640-27-5)
- 2-Nitro-1-(perfluorophenyl)ethan-1-ol (CAS 19282-52-1)
- 5-(2-Fluoro-4-nitrophenyl)-2H-tetrazole (CAS 1171930-23-6)
- 3-Azidoanisole (CAS 3866-16-8)
- Methyl 4-iodo-2-methoxybenzoate (CAS 148490-97-5)
- 2-(5,8-Dihydro-6H-pyrano[3,4-d]pyrimidin-2-yl)ethan-1-amine hydrochloride (CAS 1196147-77-9)
- Gly-Neuroendocrine Regulatory Peptide-3 (human, mouse, rat) trifluoroacetate salt (CAS 1815618-19-9)
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