4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-(methylthio)quinazoline CAS 866138-05-8
| CAS No. | 866138-05-8 |
| Molecular Formula | C19H17ClF3N5S |
| Molecular Weight | 439.88 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-(methylthio)quinazoline (C19H17ClF3N5S) is characterized by a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-(methylthio)quinazoline (CAS 866138-05-8) is a high-purity analytical reference standard with the molecular formula C19H17ClF3N5S and a molecular weight of 439.88 g/mol.
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.
As a certified reference material (CRM), 4-(4-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)-2-(methylthio)quinazoline 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 | C19H17ClF3N5S |
| Molecular Weight | 439.88 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.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
Related Chloro Standards
- 5-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl}-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 338397-26-5)
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Recommended Standards
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- 2-Bromo-6-iodo-3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine (CAS 2096996-92-6)
- Neohexyldimethylchlorosilane (CAS 151613-23-9)
- 4-(2-(1-(4-(4-Chlorophenyl)thiazol-2-yl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazinyl)benzoic acid (CAS 314761-55-2)
- 4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-1,2'-bipyridine (CAS 2304631-50-1)
- tert-Butyl (5-fluoro-2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)carbamate (CAS 2388488-96-6)
- 8-[(4S)-4,5-Dihydro-4-methyl-4-phenyl-2-oxazolyl]quinoline (CAS 1421489-14-6)
- 2-(4-Fluorophenyl)-8-methylimidazo[1,2-a]pyridine (CAS 380873-23-4)
- 3-(5-Amino-1,2,4-thiadiazol-3-yl)benzenesulfonic acid (CAS 331250-06-7)
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- (S)-(2R,3R,4R,5R)-L-Sofosbuvir Isomer (CAS 1337482-15-1)
- 2-(3'-Fluoro-[1,1'-biphenyl]-4-yl)ethan-1-amine (CAS 910387-04-1)
- 2-Iodo-3-methoxypyridine, 97% (CAS 93560-55-5)
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