| CAS No. | 677749-65-4 |
| Molecular Formula | C33H25ClFN3S |
| Molecular Weight | 550.09 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
CATO manufactures 3-(((5-(4-Chlorophenyl)-4-(2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)pyrimidin-2-yl)thio)methyl)benzonitrile under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.
3-(((5-(4-Chlorophenyl)-4-(2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)pyrimidin-2-yl)thio)methyl)benzonitrile (CAS 677749-65-4), molecular formula C33H25ClFN3S and molecular weight 550.09 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(((5-(4-Chlorophenyl)-4-(2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl)pyrimidin-2-yl)thio)methyl)benzonitrile (C33H25ClFN3S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 22.0, corresponding to approximately 22 ring(s) or double-bond equivalent(s). With a molecular weight of 550.09 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.
| Molecular Formula | C33H25ClFN3S |
| Molecular Weight | 550.09 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) | 22.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |