TL;DR: 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide (CAS 14187-31-6) is a chemical compound with molecular formula C27H27IN2 and molecular weight 506.1219 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-2-[5-(1-ethylquinolin-1-ium-2-yl)penta-2,4-dienylidene]quinoline iodide
Also Known As: 1,1'-DIETHYL-2,2'-DICARBOCYANINE IODIDE, 1,1?-Diethyl-2,2?-dicarbocyanine iodide, 1,1-DIETHYL-2,2-DICARBOCYANINE IODIDE, Quinolinium, 1-ethyl-2-(5-(1-ethyl-2(1H)-quinolinylidene)-1,3-pentadien-1-yl)-, iodide (1:1), 1,1 inverted exclamation marka-Diethyl-2,2 inverted exclamation marka-dicarbocyanine iodide
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C27H27IN2 |
| Molecular Weight | 506.1219 g/mol |
| XLogP | 3.16 |
| Topological Polar Surface Area (TPSA) | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.1219 Da |
| Heavy Atoms | 30 |
| Complexity | 591.0 |
| SMILES | CCN1C(=CC=CC=CC2=[N+](C3=CC=CC=C3C=C2)CC)C=CC4=CC=CC=C41.[I-] |
| InChIKey | ZFYDGPJXMYCXNV-UHFFFAOYSA-M |
The XLogP value of 3.16 indicates that 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 7.1 Ų, 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide is 14187-31-6.
The molecular formula of 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide is C27H27IN2.
The molecular weight of 1-Ethyl-2-(5-(1-ethyl-2(1H)-quinolylidene)penta-1,3-dienyl)quinolinium iodide is 506.1219 g/mol.
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