5-(Difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2S)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide CAS 2227198-84-5
| CAS No. | 2227198-84-5 |
| Molecular Formula | C28H35F2N5O2S |
| Molecular Weight | 543.67 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
5-(Difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2S)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide (CAS 2227198-84-5) is a high-purity analytical reference standard with the molecular formula C28H35F2N5O2S and a molecular weight of 543.67 g/mol.
Based on its molecular formula C28H35F2N5O2S, 5-(Difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2S)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 543.67 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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.
As a certified reference material (CRM), 5-(Difluoromethyl)-N-[5-({[(2S)-3,3-dimethylbutan-2-yl]amino}methyl)-1-{[(2S)-1-(prop-2-enoyl)pyrrolidin-2-yl]methyl}-1H-1,3-benzodiazol-2-yl]thiophene-2-carboxamide meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C28H35F2N5O2S |
| Molecular Weight | 543.67 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Difluoromethyl Standards
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Recommended Standards
- N-Boc-1-[2-[5-[(3-methyl-3-oxetanyl)methoxy]-1-benzimidazolyl]-8-quinolyl]-4-piperidinamine (CAS 816463-40-8)
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- 5-((3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-one (CAS 623935-83-1)
- Tetradecyl 2-acetamido-2-deoxy-3,4,6-tri-O-acetyl-b-D-glucopyranoside (CAS 173725-25-2)
- 3-(bromomethyl)pyrrolidineHCl (CAS 1289386-71-5)
- 8-methylquinolin-2-amine (CAS 20151-45-5)
- 1-Cyclopropyl-2-(3-(trifluoromethyl)phenyl)ethan-1-one (CAS 945226-93-7)
- 1-Propyldibenzo[b,d]furan (CAS 65319-50-8)
- 4,7-Dimethoxy-benzothiazol-2-ylamine (CAS 67617-99-6)
- Diethyl sodiofluoro-oxaloacetate (CAS 59769-03-8)
- 2-([(3-Iodophenyl)methyl]sulfanyl)ethan-1-amine (CAS 1147093-46-6)
- ethyl 1-acetylcyclopropanecarboxylate (CAS 32933-03-2)
- Rivaroxaban Impurity 216 (CAS CATO-C4X-1090216)
- Semaglutide impurity 95 (CAS CATO-C4X-222695)
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