2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile CAS 311323-43-0
| CAS No. | 311323-43-0 |
| Molecular Formula | C22H20N4O3S |
| Molecular Weight | 420.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 311323-43-0), molecular formula C22H20N4O3S and molecular weight 420.48 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C22H20N4O3S, 2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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 420.48 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
As a certified reference material (CRM), 2-Amino-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-4-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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 | C22H20N4O3S |
| Molecular Weight | 420.48 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) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- 1-Benzyl-3-(((3-methoxyphenyl)amino)methylene)-1H-benzo[c][1,2]thiazin-4(3H)-one 2,2-dioxide (CAS 893313-67-2)
- 3-{[2-(1H-indol-3-yl)-2-phenylethyl]sulfamoyl}benzoic acid (CAS 877966-22-8)
- Methyl trans-3-(aminomethyl)cyclobutane-1-carboxylate (CAS 1780193-75-0)
- (5E)-6-(4-Ethoxyphenyl)-4-oxohex-5-enoic acid (CAS 121365-28-4)
- (1R,2S)-2-(2,4-dimethylphenyl)cyclopropan-1-amine hydrochloride (CAS 2227758-30-5)
- 1-((2-Phenoxyethyl)sulfonyl)-4-(thiophen-3-yl)piperidine (CAS 1428358-10-4)
- Ethyl 3-(o-tolyl)propiolate (CAS 58686-71-8)
- 2H-Benzo[b][1,4]thiazin-3(4H)-one 1,1-dioxide (CAS 2799-68-0)
- Ethyl 2-amino-4,4,4-trifluoro-3-oxobutanoate (CAS 122019-58-3)
- 4,5,6-Trichloro-2-phenylpyrimidine (CAS 1207-84-7)
- Ethyl (E)-2-(2-(4-chlorophenyl)hydrazono)-2-cyanoacetate (CAS 93845-49-9)
- Peptide 439 (CAS CATO-CPTD788439)
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