1-(Azepan-1-yl)-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one CAS 852374-46-0
| CAS No. | 852374-46-0 |
| Molecular Formula | C19H20FN5OS |
| Molecular Weight | 385.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
1-(Azepan-1-yl)-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one (CAS 852374-46-0), molecular formula C19H20FN5OS and molecular weight 385.46 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(Azepan-1-yl)-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one (C19H20FN5OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 385.46 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.
As a certified reference material (CRM), 1-(Azepan-1-yl)-2-((3-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-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 | C19H20FN5OS |
| Molecular Weight | 385.46 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Azepan Standards
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- 3-(Azepan-1-ylsulfonyl)-4-chloro-N-(4H-1,2,4-triazol-3-yl)benzamide (CAS 521282-12-2)
- (3-(Azepan-1-yl)-5-(trifluoromethyl)pyridin-2-yl)(4-chlorophenyl)methanone (CAS 338959-89-0)
- 2-((2-(Azepan-1-yl)-6-methylpyrimidin-4-yl)oxy)-N-(2-ethyl-6-methylphenyl)acetamide (CAS 1226449-30-4)
- 2-((2-(Azepan-1-yl)-6-methylpyrimidin-4-yl)oxy)-N-ethyl-N-(m-tolyl)acetamide (CAS 1226450-18-5)
- 1-(Azepan-1-yl)-2-((3-(p-tolyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)thio)ethan-1-one (CAS 863459-07-8)
- N-(2-(Azepan-1-yl)-2-(thiophen-3-yl)ethyl)-2-(2-methoxyphenoxy)acetamide (CAS 946199-79-7)
Recommended Standards
- 1-(3-(2-Phenylquinolin-4-yl)-4-oxa-1,2-diazaspiro[4.5]dec-2-en-1-yl)ethanone (CAS 90074-71-8)
- 1,3-Diphenyl-1,8-dihydrodibenzo[b,f]pyrazolo[3,4-d]azepine (CAS 85008-87-3)
- (Z)-{[2-(4-methoxyphenyl)cyclopropyl](phenyl)methylidene}amino 4-methylbenzoate (CAS 338749-17-0)
- 2-(1-(2-Cyanophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)-N-(4-isopropylphenyl)-2-oxoacetamide (CAS 866144-07-2)
- 1-(2-Bromophenyl)-2-((4-methylpyrimidin-2-yl)thio)ethan-1-one (CAS 721891-90-3)
- Itx5061 (CAS 1252679-52-9)
- N-(1-(2-Hydroxynaphthalen-1-yl)propyl)acetamide (CAS 14557-76-7)
- 5-Benzyl-2-(p-tolylamino)thiazol-4(5H)-one (CAS 301174-52-7)
- 1-Chloro-1,1,2,2-tetrafluoro-3-iodopropane (CAS 1379321-83-1)
- methyl 3-cyano-1H-indole-6-carboxylate (CAS 1000576-51-1)
- 2-(2-Fluorophenyl)pyrimidine (CAS 1214349-37-7)
- (2-Chlorophenyl)(4-(morpholinomethyl)phenyl)methanone (CAS 898770-29-1)
- (E)-3-(4-isobutylphenyl)-N-(2,3,4-trifluorophenyl)acrylamide (CAS 329778-63-4)
- D-[Ser]8-Semaglutide (CAS CATO-CPTD788632)
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