TL;DR: RefChem:318755 (CAS 15495-08-6) is a chemical compound with molecular formula C22H28INO2 and molecular weight 465.1165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl-dimethyl-[2-(1-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyloxy)ethyl]azanium iodide
Also Known As: Ammonium, (2-(9,10-ethanoanthracen-9(10H)-yloxy)ethyl)dimethyl(2-hydroxyethyl)-, iodide, (2-(9,10-Dihydro-9,10-ethano-9-anthryloxy)ethyl)dimethyl(2-hydroxyethyl)ammonium iodide, 2-[(9,10-Ethanoanthracen-9(10H)-yl)oxy]-N-(2-hydroxyethyl)-N,N-dimethylethan-1-aminium iodide
| Molecular Formula | C22H28INO2 |
| Molecular Weight | 465.1165 g/mol |
| XLogP | 0.26 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 465.1165 Da |
| Heavy Atoms | 26 |
| Complexity | 439.0 |
| SMILES | C[N+](C)(CCO)CCOC12CCC(C3=CC=CC=C31)C4=CC=CC=C24.[I-] |
| InChIKey | DPQILMVQEKMOMS-UHFFFAOYSA-M |
The XLogP value of 0.26 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:318755. With a topological polar surface area (TPSA) of 29.5 Ų, RefChem:318755 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318755 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:318755 is 15495-08-6.
The molecular formula of RefChem:318755 is C22H28INO2.
The molecular weight of RefChem:318755 is 465.1165 g/mol.
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