TL;DR: Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide (CAS 15471-00-8) is a chemical compound with molecular formula C21H26INO and molecular weight 435.1059 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
trimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium iodide
Also Known As: (2-(9,10-Ethanoanthracen-9(10H)-yloxy)ethyl)trimethylammonium iodide, 9,10-Dihydro-9-(2-dimethylaminoethoxy)-9,10-ethanoanthracene methyliodide, 9,10-Ethanoanthracene, 9,10-dihydro-9-(2-dimethylaminoethoxy)-, methyliodide, AMMONIUM, (2-(9,10-ETHANOANTHRACEN-9(10H)-YLOXY)ETHYL)TRIMETHYL-, IODIDE, 2-[(9,10-Ethanoanthracen-9(10H)-yl)oxy]-N,N,N-trimethylethan-1-aminium iodide
| Molecular Formula | C21H26INO |
| Molecular Weight | 435.1059 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1059 Da |
| Heavy Atoms | 24 |
| Complexity | 402.0 |
| SMILES | C[N+](C)(C)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.[I-] |
| InChIKey | GAZHUOJJSOVPSB-UHFFFAOYSA-M |
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide. With a topological polar surface area (TPSA) of 9.2 Ų, Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide is 15471-00-8.
The molecular formula of Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide is C21H26INO.
The molecular weight of Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)trimethyl-, iodide is 435.1059 g/mol.
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