TL;DR: Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride (CAS 1052403-28-7) is a chemical compound with molecular formula C16H22ClNO4 and molecular weight 327.12375 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-azabicyclo[2.2.2]octan-3-yl 2-(4-methoxyphenoxy)acetate;hydrochloride
Also Known As: quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride, 1-azabicyclo[2.2.2]oct-8-yl 2-(4-methoxyphenoxy)acetate Hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride
| Molecular Formula | C16H22ClNO4 |
| Molecular Weight | 327.12375 g/mol |
| XLogP | 2.1332 |
| Topological Polar Surface Area (TPSA) | 48.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.12375 Da |
| Heavy Atoms | 22 |
| Complexity | 346.0 |
| SMILES | COC1=CC=C(C=C1)OCC(=O)OC2CN3CCC2CC3.Cl |
| InChIKey | HYIFEUPSHUXVKI-UHFFFAOYSA-N |
The XLogP value of 2.1332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride. With a topological polar surface area (TPSA) of 48.0 Ų, Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride is 1052403-28-7.
The molecular formula of Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride is C16H22ClNO4.
The molecular weight of Quinuclidin-3-yl 2-(4-methoxyphenoxy)acetate hydrochloride is 327.12375 g/mol.
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