1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole CAS 439111-87-2
| CAS No. | 439111-87-2 |
| Molecular Formula | C25H22ClFN4S |
| Molecular Weight | 464.99 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole is closely related to a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole (CAS 439111-87-2) is a high-purity analytical reference standard with the molecular formula C25H22ClFN4S and a molecular weight of 464.99 g/mol.
Based on its molecular formula C25H22ClFN4S, 1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole contains a nitrogen-containing heterocyclic scaffold, a nitrile group, sulfur-containing functionality, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 464.99 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 1-(2-{6-[(2-chloro-6-fluorophenyl)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}thiophen-3-yl)-2,5-dimethyl-1H-pyrrole 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 | C25H22ClFN4S |
| Molecular Weight | 464.99 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 chloro Standards
- Methyl 3-((4-(5-chloro-2-methylphenyl)piperazin-1-yl)sulfonyl)benzo[b]thiophene-2-carboxylate (CAS 899725-40-7)
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- N-(3-((5-Chloro-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)oxy)phenyl)acrylamide (CAS 1214265-56-1)
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Recommended Standards
- (3-((4-(2-Chlorophenyl)piperazin-1-yl)sulfonyl)thiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 1291487-01-8)
- 2-(((1H-Benzo[d]imidazol-2-yl)methyl)thio)-3-(4-chlorophenyl)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one (CAS 354795-49-6)
- (3-((4-(3-Chlorophenyl)piperazin-1-yl)sulfonyl)thiophen-2-yl)(3,5-dimethyl-1H-pyrazol-1-yl)methanone (CAS 1207007-62-2)
- 1-(4-Chlorophenyl)-4-{[2-(3,5-dimethyl-1H-pyrazole-1-carbonyl)thiophen-3-yl]sulfonyl}piperazine (CAS 1171812-17-1)
- 1-(4-(5-Amino-3-methyl-1H-pyrazol-1-yl)piperidin-1-yl)ethan-1-one (CAS 1365988-13-1)
- 5-Cyano-2-fluorobenzoic Acid (CAS 146328-87-2)
- 2-Benzyloctahydropyrrolo[3,4-c]pyrrole hydrochloride (CAS 1166820-41-2)
- 6-Chloro-2-nitropyridin-3-amine (CAS 146015-42-1)
- N-(1,1-dioxidotetrahydrothiophen-3-yl)-2-(ethylamino)acetamide hydrochloride (CAS 1156726-07-6)
- Lornoxicam Impurity 99 (CAS CATO-C4X-201699)
- 1,3-Benzenedisulfonic acid, 4-[2-[5-(aminocarbonyl)-1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]diazenyl]-6-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-, sodium salt (CAS 70865-29-1)
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- Methyl 4,4-dimethyl-1-oxo-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-6-carboxylate 916522-65-1 (CAS 916522-65-1)
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