3,7,7-Trimethyl-4-(thiophen-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one CAS 380450-97-5
| CAS No. | 380450-97-5 |
| Molecular Formula | C17H19N3OS |
| Molecular Weight | 313.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3,7,7-Trimethyl-4-(thiophen-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (C17H19N3OS) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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).
3,7,7-Trimethyl-4-(thiophen-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one (CAS 380450-97-5), molecular formula C17H19N3OS and molecular weight 313.42 g/mol, is a CATO reference standard with documented purity and traceability.
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), 3,7,7-Trimethyl-4-(thiophen-3-yl)-2,4,6,7,8,9-hexahydro-5H-pyrazolo[3,4-b]quinolin-5-one 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 | C17H19N3OS |
| Molecular Weight | 313.42 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related Trimethyl Standards
- 3,7,7-Trimethyl-4-(thiophen-2-yl)-2H,4H,5H,6H,7H,8H,9H-pyrazolo[3,4-b]quinolin-5-one (CAS 865658-72-6)
- Ethyl 2,7,7-trimethyl-5-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 667920-89-0)
- (2,2,4-Trimethyl-6-(methylsulfonyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-8-yl)boronic acid (CAS 2170098-43-6)
- 1-Phenyl-3-(2,2,4-trimethyl-2,3-dihydrobenzofuran-7-yl)thiourea (CAS 866150-34-7)
- 6,6,8-Trimethyl-5,6-dihydrospiro[cycloheptane-1,4-pyrrolo[3,2,1-ij]quinoline]-1,2-dione (CAS 896662-50-3)
- Ethyl 2,7,7-trimethyl-5-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carboxylate (CAS 1207507-51-4)
- 2,2,4-Trimethyl-1,2-dihydroquinolin-6-yl 3-fluorobenzoate (CAS 714278-29-2)
- 2,3,6-Trimethyl-1-(nonylthio)hept-6-en-4-yn-3-ol (CAS 102244-22-4)
Recommended Standards
- 3-Amino-N,N-diethyl-4-(morpholin-4-yl)benzene-1-sulfonamide (CAS 22745-68-2)
- 3-(4-nitrophenyl)-2-sulfanyl-3,4-dihydroquinazolin-4-one (CAS 72176-80-8)
- 3-Phenyl-2-(phenylsulfanyl)quinoline (CAS 339013-75-1)
- 3-((2,5-Dimethylbenzyl)thio)-4-ethyl-5-(furan-2-yl)-4H-1,2,4-triazole (CAS 578698-08-5)
- 2,4-Dichloro-6-(hydroxymethyl)phenol (CAS 6641-02-7)
- 5-Chloro-N,N-dimethyl-1H-benzo[d]imidazol-2-amine (CAS 5955-70-4)
- 2-Amino-N-(3-ethynylphenyl)acetamide (CAS 1016509-24-2)
- methyl 6-bromo-2-methyl-benzofuran-3-carboxylate (CAS 2306270-67-5)
- 3-amino-4-(2,2-difluoroethoxy)benzoic acid (CAS 1178372-80-9)
- Methyl 2-acetyl-5-bromo-4-fluorobenzoate (CAS 2654747-28-9)
- 4,5-Dibromo-N-(3-hydroxypropyl)-1h-pyrrole-2-carboxamide (CAS 186956-98-9)
- N-(3,4-Dihydroxyphenethyl)acetamide (CAS 2494-12-4)
- Dotinurad Impurity 133 (CAS CATO-C4X-2494133)
- Tirzepatide Impurity 16 (CAS CATO-C4X-324016)
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