3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(4-fluorophenyl)urea CAS 866038-95-1
| CAS No. | 866038-95-1 |
| Molecular Formula | C22H21FN4O2 |
| Molecular Weight | 392.43 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(4-fluorophenyl)urea (CAS 866038-95-1), molecular formula C22H21FN4O2 and molecular weight 392.43 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution, 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(4-fluorophenyl)urea is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 392.43 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 3-{3-cyano-1-[(4-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrrol-2-yl}-1-(4-fluorophenyl)urea 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 | C22H21FN4O2 |
| Molecular Weight | 392.43 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°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) | 14.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
- 3-{[4-(4-ethoxybenzenesulfonamido)phenyl]formamido}propanoic acid (CAS 796065-15-1)
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- 2-{[2-({6-[4-(Ethoxycarbonyl)-3,5-dimethyl-1H-pyrazol-1-yl]-3-pyridinyl}amino)-2-oxoethyl]sulfanyl}acetic acid (CAS 957030-33-0)
- 4-((1,3-Dioxoisoindolin-2-yl)methyl)-N-phenylbenzenesulfonamide (CAS 94136-00-2)
- MLS001006105 (CAS 455310-36-8)
- 1-(2-(Pyrrolidin-1-yl)ethyl)piperidine-4-carboxylic acid (CAS 1156151-77-7)
- 4-Iodo-N-((tetrahydrofuran-2-yl)methyl)benzamide (CAS 425606-62-8)
- 3-(5-Methyl-4H-1,2,4-triazol-3-yl)propanoic acid hydrate (CAS 1609406-57-6)
- 3-Chloro-2-norbornanone (CAS 30860-22-1)
- N-(Pyridin-2-yl)-4-(pyrimidin-2-yloxy)benzamide (CAS 1334372-93-8)
- 5-Allyl-1-ethoxy-2,3-difluorobenzene (CAS 1378820-24-6)
- 3,3'-(4-Amino-4H-1,2,4-triazole-3,5-diyl)dibenzoic acid (CAS 923057-85-6)
- Proguanil EP Impurity F (CAS 537-21-3)
- [3-31]-Semaglutide D (CAS C152H230N42O47)
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