4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl)morpholine CAS 341965-57-9
| CAS No. | 341965-57-9 |
| Molecular Formula | C22H21Cl2N3OS2 |
| Molecular Weight | 478.46 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.
4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl)morpholine (CAS 341965-57-9) is a high-purity analytical reference standard with the molecular formula C22H21Cl2N3OS2 and a molecular weight of 478.46 g/mol.
The molecular framework of 4-(2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-6-[(phenylsulfanyl)methyl]pyrimidin-4-yl)morpholine (C22H21Cl2N3OS2) is characterized by a steroid core, an amide group, sulfur-containing functionality, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. 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.
Physical & Chemical Properties
| Molecular Formula | C22H21Cl2N3OS2 |
| Molecular Weight | 478.46 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) | 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 | 2 |
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Recommended Standards
- (2Z)-3-[3-(3,4-Dimethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one (CAS 956923-16-3)
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- Pralatrexate Impurity 3 (CAS CATO-C4X-22143)
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- 1(6H)-Pyridazineacetamide, 3-chloro-6-[(phenylsulfonyl)imino]- (CAS 2102414-90-2)
- 4-Bromo-n'-hydroxythiophene-2-carboximidamide (CAS 1094456-19-5)
- Dimethylbis[2-[(1-oxooctadecyl)oxy]ethyl]ammonium chloride (CAS 67846-68-8)
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- Ethyl 5-oxo-5-(2-pyridyl)valerate (CAS 898776-54-0)
- 3-(4-Fluorophenoxy)oxetane-3-carboxylic acid (CAS 2167475-84-3)
- C-telopeptide (CAS 162929-64-8)
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