2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine CAS 478039-23-5
| CAS No. | 478039-23-5 |
| Molecular Formula | C21H12ClF3N4S |
| Molecular Weight | 444.86 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 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 478039-23-5), molecular formula C21H12ClF3N4S and molecular weight 444.86 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (C21H12ClF3N4S) 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 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.
As a certified reference material (CRM), 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(2-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]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 | C21H12ClF3N4S |
| Molecular Weight | 444.86 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) | 16.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
| Sulfur Atoms | 1 |
Related H Standards
- 2-((4-(1H-Pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(difluoromethoxy)phenyl)acetamide (CAS 886942-10-5)
- 2-((4-(1H-Pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-(trifluoromethyl)phenyl)acetamide (CAS 886920-70-3)
- 3-(1H-Pyrrol-1-yl)-6-(4-((2-(trifluoromethyl)phenyl)sulfonyl)piperazin-1-yl)pyridazine (CAS 1421457-61-5)
- 2-(4-(1H-pyrrol-1-yl)phenyl)-6,8-dibromoquinoline (CAS 861206-24-8)
- 5-(3-(1H-Pyrrol-1-yl)-4-(m-tolyl)thiophen-2-yl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole (CAS 950266-00-9)
- 2-((4-(1H-Pyrrol-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 886921-92-2)
- 2-(3-(1H-pyrrol-1-yl)thiophen-2-yl)-5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CAS 439109-51-0)
- (4-(1H-Pyrrol-1-yl)phenyl)(4-(6-phenylpyrimidin-4-yl)piperazin-1-yl)methanone (CAS 1334371-64-0)
Recommended Standards
- 1-{2-[5-(3-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]thiophen-3-yl}-1H-pyrrole (CAS 439109-46-3)
- 3-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanyl}-5,6-diphenyl-1,2,4-triazine (CAS 866133-97-3)
- N-(4-Chlorophenyl)-5,5-difluoro-1-(3-(furan-2-yl)benzoyl)piperidine-3-carboxamide (CAS 1922098-69-8)
- Lemborexant Impurity 27 (CAS CATO-C4X-304227)
- 701-99-5 InChI=1/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H acetyl chloride, phenoxy- benzyl chloroformate carbobenzoxy chloride phenoxyacetyl chloride (CAS 701-99-5)
- 4-chloro-3-fluoro-pyridin-2-amine (CAS 1393553-69-9)
- N-(2-Methoxy-5-methylphenyl)-2-((3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetamide (CAS 477330-54-4)
- 3-chloro-6-methyl-[1,2,4]triazolo[4,3-b]pyridazine (CAS 38956-68-2)
- 3-(iodomethyl)-1-methyl-piperidine;hydrochloride (CAS 2725791-08-0)
- 2-Bromo-4-chloro-5-fluorophenacyl bromide (CAS 1807121-36-3)
- 3-(2-Bromothiazol-4-yl)acrylic acid (CAS 1035219-79-4)
- 3-{[(4-chlorophenyl)methyl]sulfanyl}-N-[(1E)-(methoxyimino)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CAS 338407-46-8)
- Ethyl 2-oxo-1-thiaspiro[4.5]decane-3-carboxylate (CAS 1822822-27-4)
- β-Bag Cell Peptide (Aplysia californica) (CAS 109024-47-7)
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