1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one
TL;DR: 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one (CAS 1022236-07-2) is a chemical compound with molecular formula C22H18BrNO3 and molecular weight 423.047 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one, 1-benzo[d]1,3-dioxolan-5-yl-2-(4-bromophenyl)-6-methyl-5,6,7-trihydroindol-4-one, 1-benzo[1,3]dioxol-5-yl-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one, 1-(2H-1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-4,5,6,7-tetrahydro-1H-indol-4-one, C22H18BrNO3
Technical Specifications
| Molecular Formula | C22H18BrNO3 |
| Molecular Weight | 423.047 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 423.047 Da |
| Heavy Atoms | 27 |
| Complexity | 564.0 |
| SMILES | CC1CC2=C(C=C(N2C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Br)C(=O)C1 |
| InChIKey | QFBCLXDBMLGGSK-UHFFFAOYSA-N |
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one
Property Insights of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one
The XLogP value of 5.1 indicates that 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-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, 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-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.
Frequently Asked Questions
What is the CAS number of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one?
The CAS number of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one is 1022236-07-2.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one is C22H18BrNO3.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one is 423.047 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one?
Yes, CoreyChem provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-2-(4-bromophenyl)-6-methyl-6,7-dihydro-5H-indol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.