TL;DR: (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane (CAS 147025-54-5) is a chemical compound with molecular formula C14H19NO5 and molecular weight 281.1263 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
Also Known As: Talsaclidine fumarate, (E)-but-2-enedioic acid, Wal 2014 FU, Talsaclidine fumarate (USAN), 3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane
| Molecular Formula | C14H19NO5 |
| Molecular Weight | 281.1263 g/mol |
| XLogP | 0.4422 |
| Topological Polar Surface Area (TPSA) | 87.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.1263 Da |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
| SMILES | C#CCOC1CN2CCC1CC2.C(=C/C(=O)O)\C(=O)O |
| InChIKey | SBCXBWBXWKVIFK-WLHGVMLRSA-N |
The XLogP value of 0.4422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane. Following Lipinski's Rule of Five, (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane is 147025-54-5.
The molecular formula of (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane is C14H19NO5.
The molecular weight of (E)-but-2-enedioic acid;3-prop-2-ynoxy-1-azabicyclo[2.2.2]octane is 281.1263 g/mol.
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