TL;DR: RefChem:79748 (CAS 25078-74-4) is a chemical compound with molecular formula C30H28IN5 and molecular weight 585.1389 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-diethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]imidazo[4,5-b]quinoxalin-3-ium iodide
Also Known As: 1H-Imidazo(4,5-b)quinoxalinium, 1,3-diethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl)-, iodide, 1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide, 1H-Imidazo(4,5-b)quinoxalinium, 1,3-diethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl)-, iodide (1:1), 1,3-diethyl-2-[2- vinyl]-1H-imidazo[4,5-b]quinoxaliniumiodide, 1,3-Diethyl-2-(2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl)-1H-imidazo(4,5-b)quinoxalinium iodide
| Molecular Formula | C30H28IN5 |
| Molecular Weight | 585.1389 g/mol |
| XLogP | 3.24 |
| Topological Polar Surface Area (TPSA) | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 585.1389 Da |
| Heavy Atoms | 36 |
| Complexity | 706.0 |
| SMILES | CCN1C(=[N+](C2=NC3=CC=CC=C3N=C21)CC)C=CC4=C(N(C5=CC=CC=C54)C)C6=CC=CC=C6.[I-] |
| InChIKey | VDPPMUDLRMHABG-UHFFFAOYSA-M |
The XLogP value of 3.24 indicates that RefChem:79748 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.5 Ų, RefChem:79748 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:79748 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:79748 is 25078-74-4.
The molecular formula of RefChem:79748 is C30H28IN5.
The molecular weight of RefChem:79748 is 585.1389 g/mol.
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