J-113863, trans-
2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide
Also Known As: J-113863, trans-|trans-j-113863|cis-j-113863|J-113863|J 113863|J-113863, cis-|2-phenyl-quinoline-4-thiol|UCB 35625|EX-A8099|EX-A14718|HY-103360A|HY-103360B|2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide;iodide
CAS: 301648-08-8
| Molecular Formula | C30H37Cl2IN2O2 |
|---|---|
| Molecular Weight | 654.1277 g/mol |
| LogP | 4.6309 |
| Topological Polar Surface Area | 38.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 654.1277 |
| Monoisotopic Mass | 654.1277 |
| Heavy Atoms | 37 |
| Complexity | 1092.8965 |
Chemical Identifiers
| CAS Number | 301648-08-8 |
|---|---|
| SMILES | CC[N+]1(CCC(CC1)NC(=O)C2C3=C(C=CC(=C3)Cl)OC4=C2C=C(C=C4)Cl)C/C/5=C/CCCCCC5.[I-] |
Product Overview
J-113863, trans- (CAS 301648-08-8), with molecular formula C30H37Cl2IN2O2 and molecular weight 654.1277 g/mol. IUPAC: 2,7-dichloro-N-[1-[[(1E)-cycloocten-1-yl]methyl]-1-ethylpiperidin-1-ium-4-yl]-9H-xanthene-9-carboxamide iodide.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
J-113863, trans- is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »