TL;DR: RefChem:349614 (CAS 63905-49-7) is a chemical compound with molecular formula C19H30Cl4I2N2 and molecular weight 679.92523 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[5-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)pentyl]azanium diiodide
Also Known As: Ammonium, (5-(2-methyl-4,5,6,7-tetrachloroisoindolinio)pentyl)diethylmethyl-, diiodide, Isoindolinium, 2-(5'-(diethylmethylammononio)pentyl)-2-methyl-4,5,6,7-tetrachloro-, diiodide, 1H-Isoindolium, 4,5,6,7-tetrachloro-2-[5-(diethylmethylammonio)pentyl]-2,3-dihydro-2-methyl-, diiodide, 4,5,6,7-Tetrachloro-2-{5-[diethyl(methyl)azaniumyl]pentyl}-2-methyl-2,3-dihydro-1H-isoindol-2-ium diiodide, diethyl-methyl-[5-(4,5,6,7-tetrachloro-2-methyl-1,3-dihydroisoindol-2-ium-2-yl)pentyl]azanium diiodide
| Molecular Formula | C19H30Cl4I2N2 |
| Molecular Weight | 679.92523 g/mol |
| XLogP | 0.43 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 681.9223 Da |
| Heavy Atoms | 27 |
| Complexity | 408.0 |
| SMILES | CC[N+](C)(CC)CCCCC[N+]1(CC2=C(C1)C(=C(C(=C2Cl)Cl)Cl)Cl)C.[I-].[I-] |
| InChIKey | ZCKXWZJYZCFTMH-UHFFFAOYSA-L |
The XLogP value of 0.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:349614. With a topological polar surface area (TPSA) of 0.0 Ų, RefChem:349614 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349614 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:349614 is 63905-49-7.
The molecular formula of RefChem:349614 is C19H30Cl4I2N2.
The molecular weight of RefChem:349614 is 679.92523 g/mol.
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