Benzyl 2-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate CAS 847231-83-8
| CAS No. | 847231-83-8 |
| Molecular Formula | C23H18ClN3O3S |
| Molecular Weight | 451.93 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
Benzyl 2-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate (CAS 847231-83-8), molecular formula C23H18ClN3O3S and molecular weight 451.93 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution, Benzyl 2-((2-((4-chlorophenyl)amino)-2-oxoethyl)thio)-1H-benzo[d]imidazole-1-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 451.93 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C23H18ClN3O3S |
| Molecular Weight | 451.93 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
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Recommended Standards
- 2-((4-Amino-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide (CAS 573695-15-5)
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- 2-((4-Amino-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-phenoxyphenyl)acetamide (CAS 763106-44-1)
- Avatrombopag Impurity 79 (CAS CATO-C4X-223479)
- 1-(3-Chloro-2-methylphenyl)ethan-1-ol (CAS 1314904-19-2)
- N-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)ethanamine (CAS 1218791-16-2)
- N-(6-Bromopyridin-2-yl)-N-methylacetamide (CAS 1133116-43-4)
- 1-Bromo-2-fluoro-4-isothiocyanato-3-methylbenzene (CAS 1000576-39-5)
- (1R,2R)-2-(difluoromethyl)cyclobutan-1-amine hydrochloride (CAS 2095396-78-2)
- 1-(3-methoxyphenyl)-2-methylpiperazine dihydrochloride (CAS 1423025-65-3)
- 5-(4-Methylpiperazin-1-yl)pyridin-3-ylboronic acid (CAS 1286778-37-7)
- 4-Chloro-6-(methoxy(methyl)amino)-N,N-dimethyl-1,3,5-triazin-2-amine (CAS 7802-74-6)
- N-(1-(5-(Furan-2-yl)-1H-pyrazol-3-yl)ethyl)butan-1-amine (CAS 1365940-11-9)
- Semaglutide impurity 260 (CAS CATO-C4X-2226260)
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