1-(3-Chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}thiourea CAS 338420-78-3
| CAS No. | 338420-78-3 |
| Molecular Formula | C24H13Cl2F6N5O2S |
| Molecular Weight | 620.35 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 1-(3-Chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}thiourea is closely related to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
1-(3-Chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}thiourea (CAS 338420-78-3) is a high-purity analytical reference standard with the molecular formula C24H13Cl2F6N5O2S and a molecular weight of 620.35 g/mol.
Based on its molecular formula C24H13Cl2F6N5O2S, 1-(3-Chloro-4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenyl)-3-{1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-1H-pyrrole-2-carbonyl}thiourea contains a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 620.35 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. 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.
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.
Physical & Chemical Properties
| Molecular Formula | C24H13Cl2F6N5O2S |
| Molecular Weight | 620.35 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 17.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
| Sulfur Atoms | 1 |
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- 2-Methyl-2-(1H-pyrazol-3-yl)propan-1-ol (CAS 2172572-81-3)
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- 4-(Pyrrolidin-1-ylsulfonyl)morpholine (CAS 887344-62-9)
- 3-(2-Benzyl-4-methyl-6-oxo-2H-pyrazolo[3,4-b]pyridin-7(6H)-yl)propanoic acid (CAS 1018165-30-4)
- Tert-butyl (2s)-2-(4-aminopiperidine-1-carbonyl)pyrrolidine-1-carboxylate (CAS 1308650-29-4)
- 6-(Trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-amine (CAS 1190320-36-5)
- (R)-2-(N-Fmoc-N-methyl-amino)-3-cyclopropylpropanoic acid (CAS 2243125-98-4)
- S-An-Phanephos (CAS 364796-54-3)
- Bradykinin-Like Neuropeptide (Aplysia californica) (H-1654.0001) (CAS 165174-60-7)
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