| CAS No. | 606081-87-2 |
| Molecular Formula | C20H21ClN4OS |
| Molecular Weight | 400.92 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
The occurrence of 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide is closely related to a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
CATO supplies 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide (CAS 606081-87-2), a certified reference material (molecular formula C20H21ClN4OS, MW 400.92 g/mol) for analytical method development and quality control.
Structurally, 4-(5-Chloro-1H-benzoimidazol-2-yl)-piperidine-1-carboxylic acid(4-methylsulfanyl-phenyl)-amide (C20H21ClN4OS) contains a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine 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 400.92 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.
| Molecular Formula | C20H21ClN4OS |
| Molecular Weight | 400.92 g/mol |
| Purity | 97%+ |
| Storage | Store at room temperature, 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |