3-Chloro-n-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]-1-benzothiophene-2-carboxamide CAS 790247-45-9
| CAS No. | 790247-45-9 |
| Molecular Formula | C17H14Cl2N2O2S |
| Molecular Weight | 381.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 381.28 g/mol gives 3-Chloro-n-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]-1-benzothiophene-2-carboxamide distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-Chloro-n-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]-1-benzothiophene-2-carboxamide (CAS 790247-45-9) is a high-purity analytical reference standard with the molecular formula C17H14Cl2N2O2S and a molecular weight of 381.28 g/mol.
3-Chloro-n-[3-(2-chloroacetyl)-2,5-dimethyl-1h-pyrrol-1-yl]-1-benzothiophene-2-carboxamide (C17H14Cl2N2O2S) 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C17H14Cl2N2O2S |
| Molecular Weight | 381.28 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chloro Standards
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- 5-(2-Chloro-4-(4-chlorophenoxy)phenyl)-1-phenyl-1H-pyrazole (CAS 321522-26-3)
- 2-Chloro-4,6-diiodopyridin-3-ol (CAS 1171918-88-9)
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- 2-Chloro-N-(2-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)thio)phenyl)acetamide (CAS 338407-58-2)
- Ethyl 4-chloro-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxylate (CAS 1310704-15-4)
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Recommended Standards
- 3-(2,4-Dichlorophenyl)-5-((4-methoxybenzyl)thio)-4H-1,2,4-triazol-4-amine (CAS 676485-00-0)
- 4-((2,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline (CAS 5356-20-7)
- 3-(2,4-Dichloro-5-isopropoxyphenyl)-2-mercaptoquinazolin-4(3H)-one (CAS 339015-10-0)
- 4-((3,4-Dichlorobenzyl)thio)-6,7-dimethoxycinnoline (CAS 5388-40-9)
- 3-Amino-3-(furan-2-yl)propan-1-ol (CAS 206194-18-5)
- Propan-2-yl 5-bromo-2-fluorobenzoate (CAS 1369403-80-4)
- Ytterbium(III) Carbonate Hydrate (CAS 342385-48-2)
- Benzyl n-[(4,5-dihydro-1h-imidazol-2-yl)methyl]carbamate (CAS 70984-91-7)
- 4-Chloro-2-(trichloromethyl)quinazoline (CAS 3137-63-1)
- (2-(Difluoromethyl)-3-fluoro-6-(trifluoromethyl)pyridin-4-yl)methanamine (CAS 1806015-57-5)
- H-Arg-AMC hydrochloride salt (CAS 70274-89-4)
- 5-(bromomethyl)thiazole hydrobromide (CAS 167998-61-0)
- 2-(4-(7-Chloro-4-nitrobenzo[c][1,2,5]oxadiazol-5-yl)piperazin-1-yl)ethan-1-ol (CAS 842966-44-3)
- Semaglutide impurity 103 (CAS 1446013-07-5)
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