1-((1-Cyanocyclohexyl)amino)-1-oxopropan-2-yl 2-(phenylthio)nicotinate CAS 876943-45-2
| CAS No. | 876943-45-2 |
| Molecular Formula | C22H23N3O3S |
| Molecular Weight | 409.50 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.
1-((1-Cyanocyclohexyl)amino)-1-oxopropan-2-yl 2-(phenylthio)nicotinate (CAS 876943-45-2), molecular formula C22H23N3O3S and molecular weight 409.50 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C22H23N3O3S, 1-((1-Cyanocyclohexyl)amino)-1-oxopropan-2-yl 2-(phenylthio)nicotinate contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 409.50 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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).
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 | C22H23N3O3S |
| Molecular Weight | 409.50 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 |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Cyanocyclohexyl Standards
- N-(1-Cyanocyclohexyl)-2-((2-(thiophen-2-yl)quinazolin-4-yl)thio)acetamide (CAS 852829-87-9)
- N-(4-(2-((1-Cyanocyclohexyl)amino)-2-oxoethoxy)phenyl)-2-methoxybenzamide (CAS 852684-81-2)
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- 2-((1-Cyanocyclohexyl)amino)-2-oxoethyl 3-phenylbenzo[c]isoxazole-5-carboxylate (CAS 871561-80-7)
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Recommended Standards
- PF-06767832 (CAS 1859081-58-5)
- 2-((4-Benzyl-5-(furan-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyano-3-methylbutan-2-yl)acetamide (CAS 744265-28-9)
- 1-(3-((Furan-2-ylmethyl)sulfonyl)azetidin-1-yl)-3,3-diphenylpropan-1-one (CAS 1797871-24-9)
- 2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)-N-(3,4-difluorophenyl)acetamide (CAS 477330-80-6)
- 3,4-Dibromo-2-chloro-5-(difluoromethyl)pyridine (CAS 1805041-34-2)
- (S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine (CAS 1213471-16-9)
- 1-(2-Chlorophenyl)-3-methyl-5-pyrazolone (CAS 14580-22-4)
- 1-(Tert-butyl) 3-methyl 4-(trifluoromethyl)-5,6-dihydropyridine-1,3(4H)-dicarboxylate (CAS 1373503-19-5)
- 2-Ethoxy-5-(tributylstannyl)thiazole (CAS 446285-61-6)
- 1-tert-butyl-3-fluoropyrrolidine-3-carboxylic acid hydrochloride (CAS 1803584-91-9)
- 5-Bromo-6-(3-fluorophenyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid (CAS 1707373-11-2)
- 5-(4-Fluorophenyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinoline (CAS 1212160-10-5)
- 3-Benzoyl-6-methyl-2-phenylquinolin-4(1H)-one (CAS 90140-38-8)
- Semaglutide impurity 81 (CAS CATO-C4X-222681)
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