2-(Methylthio)-N-(4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)nicotinamide CAS 756863-04-4
| CAS No. | 756863-04-4 |
| Molecular Formula | C20H21N5OS |
| Molecular Weight | 379.48 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
CATO supplies 2-(Methylthio)-N-(4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)nicotinamide (CAS 756863-04-4), a certified reference material (molecular formula C20H21N5OS, MW 379.48 g/mol) for analytical method development and quality control.
Structurally, 2-(Methylthio)-N-(4-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl)nicotinamide (C20H21N5OS) 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 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 379.48 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C20H21N5OS |
| Molecular Weight | 379.48 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1986 |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Methylthio Standards
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- 3-(4-(Methylthio)phenyl)-5-(((1-phenyl-1H-imidazol-2-yl)thio)methyl)-1,2,4-oxadiazole (CAS 1115958-76-3)
- 5,5'-Bis(methylthio)-4,4'-diphenyl-4H,4'H-3,3'-bi(1,2,4-triazole) (CAS 637325-36-1)
- 2-(Methylthio)-N-(4-(naphthalen-2-yl)thiazol-2-yl)nicotinamide (CAS 786717-94-0)
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Recommended Standards
- 2-(Benzo[d]thiazol-2-ylthio)-N-(4-sulfamoylphenyl)acetamide (CAS 81958-35-2)
- 2-[[2-Oxo-2-(1-piperidinyl)ethyl]thio]-3-phenyl-4(3H)-quinazolinone (CAS 312522-38-6)
- 2-((4-Ethyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(1-phenylethylidene)acetohydrazide (CAS 361165-45-9)
- 2-Phenyl-4-(pyrrolidin-1-yl)-6-tosylpyrimidine (CAS 478080-71-6)
- (E)-2-(((3,5-dichlorophenyl)imino)methyl)-6-methoxyphenol (CAS 303771-98-4)
- 5-(Chloromethyl)-1-cyclohexyl-2-methanesulfonyl-1h-imidazole (CAS 1221341-09-8)
- Methyl 4-(Trifluoromethoxy)benzoate (CAS 780-31-4)
- n-(2-(2-Bromovinyl)phenyl)acetamide (CAS 297140-59-1)
- Toxipantrone (CAS 156090-18-5)
- 5-Fluoro-3-methylpicolinonitrile (CAS 1261883-35-5)
- 7-Bromo-4-methyl-6-azaindole (CAS 1379344-79-2)
- Phenyl(3-(tosylmethyl)benzofuran-2-yl)methanone (CAS 338423-87-3)
- 6,7-Dimethylquinazoline (CAS 1059158-69-8)
- Semaglutide impurity 268 (CAS CATO-C4X-2226268)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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