TL;DR: (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan (CAS 1035373-85-3) is a chemical compound with molecular formula C34H34N2O2 and molecular weight 502.26202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-phenanthren-9-yloxymethyl]-6-methoxyquinoline
Also Known As: Hydroquinine 9-phenanthryl ether, Hydroquinidine 9-phenanthryl ether, (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan, (9S)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan, 4-[(5-ethylquinuclidin-2-yl)-(9-phenanthryloxy)methyl]-6-methoxy-quinoline
| Molecular Formula | C34H34N2O2 |
| Molecular Weight | 502.26202 g/mol |
| XLogP | 7.9 |
| Topological Polar Surface Area (TPSA) | 34.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.26202 Da |
| Heavy Atoms | 38 |
| Complexity | 790.0 |
| SMILES | CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)OC5=CC6=CC=CC=C6C7=CC=CC=C75 |
| InChIKey | TWOVHUYOMTVDRB-UHFFFAOYSA-N |
The XLogP value of 7.9 indicates that (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.6 Ų, (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan is 1035373-85-3.
The molecular formula of (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan is C34H34N2O2.
The molecular weight of (8alpha,9R)-10,11-Dihydro-6'-methoxy-9-(9-phenanthrenyloxy)cinchonan is 502.26202 g/mol.
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