TL;DR: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE (CAS 1024436-76-7) is a chemical compound with molecular formula C24H18BrF6NO and molecular weight 529.0476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-6,6-dimethyl-5,7-dihydroindol-4-one
Also Known As: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE, 1-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-6,6-dimethyl-5,7-dihydroindol-4-one, 1-[3,5-bis(trifluoromethyl)phenyl]-2-(4-bromophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indol-4-one, C24H18BrF6NO
| Molecular Formula | C24H18BrF6NO |
| Molecular Weight | 529.0476 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 529.0476 Da |
| Heavy Atoms | 33 |
| Complexity | 707.0 |
| SMILES | CC1(CC2=C(C=C(N2C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC=C(C=C4)Br)C(=O)C1)C |
| InChIKey | FSSWLGOCJMCCPU-UHFFFAOYSA-N |
The XLogP value of 7.4 indicates that 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.0 Ų, 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE is 1024436-76-7.
The molecular formula of 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE is C24H18BrF6NO.
The molecular weight of 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-2-(4-BROMOPHENYL)-6,6-DIMETHYL-5,6,7-TRIHYDROINDOL-4-ONE is 529.0476 g/mol.
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