Ethyl 1-(4-fluorophenyl)-6-oxo-4-(propylthio)-1,6-dihydropyridazine-3-carboxylate CAS 339096-26-3
| CAS No. | 339096-26-3 |
| Molecular Formula | C16H17FN2O3S |
| Molecular Weight | 336.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Ethyl 1-(4-fluorophenyl)-6-oxo-4-(propylthio)-1,6-dihydropyridazine-3-carboxylate.
Ethyl 1-(4-fluorophenyl)-6-oxo-4-(propylthio)-1,6-dihydropyridazine-3-carboxylate (CAS 339096-26-3), molecular formula C16H17FN2O3S and molecular weight 336.38 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Ethyl 1-(4-fluorophenyl)-6-oxo-4-(propylthio)-1,6-dihydropyridazine-3-carboxylate (C16H17FN2O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 336.38 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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), Ethyl 1-(4-fluorophenyl)-6-oxo-4-(propylthio)-1,6-dihydropyridazine-3-carboxylate 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 | C16H17FN2O3S |
| Molecular Weight | 336.38 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
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Recommended Standards
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- Ethyl 2-(4-(3-methylbenzyl)-3-oxo-3,4-dihydroquinoxalin-2-yl)acetate (CAS 478041-08-6)
- Danshenxinkun D (CAS 98873-76-8)
- 5-Methoxy-2-methylbenzoic Acid (CAS 3168-59-0)
- 4-Fluoro-2-bromophenol methyl cyclopropyl ether (CAS 1156170-01-2)
- 4-chloro-N-[2-(propan-2-yl)oxan-3-yl]pyrimidin-2-amine (CAS 1803571-57-4)
- Azetidin-3-yl(4-(trifluoromethyl)piperidin-1-yl)methanone hydrochloride (CAS 1832981-31-3)
- 2-(Cyclopentyloxy)cyclohexan-1-amine (CAS 1247863-74-6)
- (R)-2-(aminomethyl)pentanoic acid hydrochloride (CAS 528566-21-4)
- 6-Oxo-2,3,4,6-tetrahydropyrimido[2,1-b][1,3]thiazine-7-carbonitrile (CAS 2110053-04-6)
- 2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-2-(1-methyl-1H-pyrrol-2-yl)acetonitrile (CAS 338407-38-8)
- Epinephrine Impurity 89 (CAS CATO-C4X-184989)
- Semaglutide impurity 202 (CAS CATO-C4X-2226202)
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