Ethyl 6-amino-4-(4-(tert-butyl)phenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate CAS 445384-33-8
| CAS No. | 445384-33-8 |
| Molecular Formula | C31H34N4O3S |
| Molecular Weight | 542.69 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 542.69 g/mol gives Ethyl 6-amino-4-(4-(tert-butyl)phenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies Ethyl 6-amino-4-(4-(tert-butyl)phenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (CAS 445384-33-8), a certified reference material (molecular formula C31H34N4O3S, MW 542.69 g/mol) for analytical method development and quality control.
The molecular framework of Ethyl 6-amino-4-(4-(tert-butyl)phenyl)-5-cyano-2-(((3-cyano-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-2-yl)thio)methyl)-4H-pyran-3-carboxylate (C31H34N4O3S) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C31H34N4O3S |
| Molecular Weight | 542.69 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) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related Ethyl Standards
- 3-(3-Amino-2,4,6-triiodophenyl)propanoic acid (CAS 1206-91-3)
- Ethyl 6-amino-4-(4-bromo-2-fluorophenyl)-5-cyano-2-{[(3-cyano-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-4H-pyran-3-carboxylate (CAS 312265-22-8)
- 3'-Amino-3'-deoxy-5'-o-dmt-thymidine (CAS 139063-29-9)
- Methyl 5-amino-4-(6-methyl-7-oxo-1-tosyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)-2-((methylsulfonyl)methyl)benzoate (CAS 2313230-44-1)
- Amino-PEG9-Boc (CAS 1818294-44-8)
- 2-Amino-5-((4-amino-3-sulfophenyl)(4-imino-3-sulfocyclohexa-2,5-dien-1-ylidene)methyl)-3-methylbenzenesulfonic acid (CAS 19379-19-2)
- 2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy-[hydroxy(phosphonooxy)phosphoryl]oxy-phosphoryl]oxymethyl]tetrahydrofuran-2-yl]-7-methyl-purin-7-ium-6-olate (CAS 26554-26-7)
- 3-Amino-N-(2-bromo-4-methylphenyl)-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide (CAS 332053-69-7)
Recommended Standards
- (2R,3R,4S,5R,6S)-4,5-Bis(benzyloxy)-2-((benzyloxy)methyl)-6-(phenylthio)tetrahydro-2H-pyran-3-ol (CAS 97974-20-4)
- Lurasidone Impurity 36 (CAS CATO-C4X-102836)
- (2S,3R,4R,5R,6R)-4,5-Bis(benzyloxy)-6-((benzyloxy)methyl)-2-(phenylthio)tetrahydro-2H-pyran-3-ol (CAS 130781-27-0)
- Lurasidone Impurity 58 (CAS CATO-C4X-102858)
- N,N-Diethyl-1-(1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carbonyl)piperidine-3-carboxamide hydrochloride (CAS 1160245-25-9)
- (1-(5-(2-Bromophenyl)isoxazol-3-yl)cyclopropyl)methanol (CAS 1352511-39-7)
- Bavachin (CAS 19879-32-4)
- imino-methyl-oxo-pentyl-sulfane (CAS 121034-32-0)
- 2-(3-Isopropoxy-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CAS 1462950-51-1)
- 3-(((Benzyloxy)carbonyl)(phenyl)amino)propanoic acid (CAS 674309-21-8)
- Allisartan Isoproxil Impurity 32 (CAS CATO-C4X-321732)
- Paeoniflorin (CAS 23180-57-6)
- 6-Amino-4-((3,5-dimethylisoxazol-4-yl)methyl)-2H-benzo[b][1,4]oxazin-3(4H)-one (CAS 1017330-87-8)
- D-Val23-Tirzepatide (CAS CATO-CPTD788911)
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