1-(Azepan-1-yl)-2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one CAS 868966-33-0
| CAS No. | 868966-33-0 |
| Molecular Formula | C17H19N5OS2 |
| Molecular Weight | 373.50 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-(Azepan-1-yl)-2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one (CAS 868966-33-0), molecular formula C17H19N5OS2 and molecular weight 373.50 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 1-(Azepan-1-yl)-2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one (C17H19N5OS2) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 373.50 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
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 | C17H19N5OS2 |
| Molecular Weight | 373.50 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 2 |
Related Azepan Standards
- 11-((2-(Azepan-1-yl)ethyl)amino)-2,3-dihydro-1H-benzo[4,5]imidazo[1,2-a]cyclopenta[d]pyridine-4-carbonitrile (CAS 385392-08-5)
- N-(2-(Azepan-1-yl)-2-(1-methyl-1H-pyrrol-2-yl)ethyl)-2-(2-fluorophenoxy)acetamide (CAS 1049441-31-7)
- 2-(2-(Azepan-1-yl)-4-(4-ethoxy-2-methylphenyl)thiazol-5-yl)acetic acid (CAS 1443286-02-9)
- 2-(2-(Azepan-1-yl)-4-(4-ethoxy-3-methylphenyl)thiazol-5-yl)acetic acid (CAS 1443287-97-5)
- 2-((2-(Azepan-1-yl)-6-methylpyrimidin-4-yl)oxy)-N-(2-chlorophenyl)acetamide (CAS 1226456-46-7)
- N-(2-(Azepan-1-yl)-2-(thiophen-3-yl)ethyl)-2-(2-fluorophenoxy)acetamide (CAS 946374-90-9)
- N-((4-(Azepan-1-ylsulfonyl)phenyl)carbamothioyl)propionamide (CAS 590400-06-9)
- Ethyl 2-(3-(azepan-1-yl)propanamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate (CAS 297761-75-2)
Recommended Standards
- 1-(4-Methylpiperidin-1-yl)-2-((3-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)ethan-1-one (CAS 868966-35-2)
- 2-(((4-(4-Ethoxyphenyl)-5-(ethylthio)-4H-1,2,4-triazol-3-yl)methyl)thio)pyrimidine (CAS 868221-50-5)
- 4-Methyl-2-(1H-pyrrol-1-yl)-N-((1-(thiazol-2-yl)pyrrolidin-2-yl)methyl)thiazole-5-carboxamide (CAS 1790197-37-3)
- N-(1-Cyano-1-cyclopropylethyl)-2-((5-(m-tolylamino)-1,3,4-thiadiazol-2-yl)thio)acetamide (CAS 863420-13-7)
- 3-Oxa-9-azabicyclo[3.3.1]nonane-7-carboxylic acid (CAS 1638771-99-9)
- 2-Bromo-5-(3-methoxypropoxy)pyridine (CAS 1697462-74-0)
- 1-(3,4-Difluorophenyl)-3,3-dimethylbutan-1-amine (CAS 1021126-07-7)
- 2-BRomo-4-nitro-N-phenylaniline (CAS 16588-27-5)
- 3-Bromo-2-iodo-5-(trifluoromethyl)pyridine (CAS 1214383-73-9)
- H-Phe-OEt · HCl (CAS 3182-93-2)
- 3-Hydroxy-N-(naphthalen-2-yl)-2-naphthamide (CAS 135-64-8)
- N-Heptyl-N,N-dimethylheptan-1-aminium chloride (CAS 106128-47-6)
- (2R,3R,4S,5R)-2-(6-Amino-9H-purin-9-yl)-5-(((tert-butyldiphenylsilyl)oxy)methyl)tetrahydrofuran-3,4-diol (CAS 119898-65-6)
- Des-Ile17-Tirzepatide (CAS CATO-CPTD788956)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
- Worldwide shipping with full export documentation (HS code guidance available)
- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com