≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Canonical Smiles | CC1=CC(=C(C(=N1)S(=O)(=O)C)NC(=O)N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C4CCCCCC4)S(=O)(=O)C |
|---|---|
| IUPAC Name | 1-cycloheptyl-1-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[6-methyl-2,4-bis(methylsulfonyl)pyridin-3-yl]urea |
| InChIKey | UFRBZRWETFGORO-UHFFFAOYSA-N |
| INCHI | 1S/C29H34FN3O6S2/c1-20-18-26(40(2,35)36)27(28(31-20)41(3,37)38)32-29(34)33(23-8-6-4-5-7-9-23)19-21-10-14-24(15-11-21)39-25-16-12-22(30)13-17-25/h10-18,23H,4-9,19H2,1-3H3,(H,32,34) |
| Isomeric SMILES | CC1=CC(=C(C(=N1)S(=O)(=O)C)NC(=O)N(CC2=CC=C(C=C2)OC3=CC=C(C=C3)F)C4CCCCCC4)S(=O)(=O)C |
| Alternate CAS | 215589-63-2 |
| PubChem CID | 6918442 |
| MeSH Entry Terms | FR 190809;FR-190809;N-cycloheptyl-N-(4-(4-fluorophenoxy)-benzyl)-N'-(2,4-bis(methylsulfonyl)-6-methylpyridin-3-yl)urea |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Phenoxy compounds Phenol ethers Methylpyridines Fluorobenzenes Aryl fluorides Sulfones Heteroaromatic compounds Ureas Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Fluorobenzene - Halobenzene - Methylpyridine - Aryl fluoride - Aryl halide - Pyridine - Sulfonyl - Sulfone - Heteroaromatic compound - Urea - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
| Molecular Weight | 603.700 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 8 |
| Exact Mass | 603.187 Da |
| Monoisotopic Mass | 603.187 Da |
| Topological Polar Surface Area | 140.000 Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 1060.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
