TL;DR: 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one (CAS 1023798-69-7) is a chemical compound with molecular formula C28H22BrNO3 and molecular weight 499.0783 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one
Also Known As: 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one, 2-(4-BROMOPHENYL)-1-(4-OXACHROMAN-6-YL)-6-PHENYL-5,6,7-TRIHYDROINDOL-4-ONE, 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-4,5,6,7-tetrahydro-1H-indol-4-one, 2-(4-Bromophenyl)-1-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-phenyl-1,5,6,7-tetrahydro-4H-indol-4-one, C28H22BrNO3
| Molecular Formula | C28H22BrNO3 |
| Molecular Weight | 499.0783 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 499.0783 Da |
| Heavy Atoms | 33 |
| Complexity | 689.0 |
| SMILES | C1COC2=C(O1)C=CC(=C2)N3C4=C(C=C3C5=CC=C(C=C5)Br)C(=O)CC(C4)C6=CC=CC=C6 |
| InChIKey | KYCCNYQGZYYNHW-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one is 1023798-69-7.
The molecular formula of 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one is C28H22BrNO3.
The molecular weight of 2-(4-bromophenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-phenyl-6,7-dihydro-5H-indol-4-one is 499.0783 g/mol.
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