4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine CAS 338961-72-1
| CAS No. | 338961-72-1 |
| Molecular Formula | C22H22ClN3S |
| Molecular Weight | 395.95 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine (CAS 338961-72-1) is a high-purity analytical reference standard with the molecular formula C22H22ClN3S and a molecular weight of 395.95 g/mol.
Based on its molecular formula C22H22ClN3S, 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 395.95 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), 4-({[(4-chlorophenyl)methyl]sulfanyl}methyl)-2-phenyl-6-(pyrrolidin-1-yl)pyrimidine meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C22H22ClN3S |
| Molecular Weight | 395.95 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
| Sulfur Atoms | 1 |
Related chlorophenyl Standards
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