5-(4-Chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine CAS 478248-98-5
| CAS No. | 478248-98-5 |
| Molecular Formula | C34H30ClFN2S |
| Molecular Weight | 553.13 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 5-(4-Chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine.
5-(4-Chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine (CAS 478248-98-5), molecular formula C34H30ClFN2S and molecular weight 553.13 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 5-(4-Chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine (C34H30ClFN2S) contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 20.0, corresponding to approximately 20 ring(s) or double-bond equivalent(s). With a molecular weight of 553.13 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.
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.
CATO manufactures 5-(4-Chlorophenyl)-2-{[(3,5-dimethylphenyl)methyl]sulfanyl}-4-{2'-fluoro-4'-propyl-[1,1'-biphenyl]-4-yl}pyrimidine 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.
Physical & Chemical Properties
| Molecular Formula | C34H30ClFN2S |
| Molecular Weight | 553.13 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) | 20.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Related Chlorophenyl Standards
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