TL;DR: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide (CAS 1025300-49-5) is a chemical compound with molecular formula C26H21BrN2O3S and molecular weight 520.04565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]prop-2-enamide
Also Known As: (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide, (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl]ethyl]prop-2-enamide, F0582-0624, (2E)-3-(2H-1,3-benzodioxol-5-yl)-N-(2-{[2-(4-bromophenyl)-1H-indol-3-yl]sulfanyl}ethyl)prop-2-enamide
| Molecular Formula | C26H21BrN2O3S |
| Molecular Weight | 520.04565 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 88.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 520.04565 Da |
| Heavy Atoms | 33 |
| Complexity | 686.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NCCSC3=C(NC4=CC=CC=C43)C5=CC=C(C=C5)Br |
| InChIKey | BQTXJABVSYSNBS-WUXMJOGZSA-N |
The XLogP value of 6.1 indicates that (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide. Following Lipinski's Rule of Five, (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide is 1025300-49-5.
The molecular formula of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide is C26H21BrN2O3S.
The molecular weight of (E)-3-(benzo[d][1,3]dioxol-5-yl)-N-(2-((2-(4-bromophenyl)-1H-indol-3-yl)thio)ethyl)acrylamide is 520.04565 g/mol.
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