TL;DR: Gyki 46903 (CAS 142999-59-5) is a chemical compound with molecular formula C17H21ClFNO2 and molecular weight 325.12448 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(4R,5S)-6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-yl] propanoate;hydrochloride
Also Known As: Gyki 46903, GYKI-46903 HCl, 4-Propionyloxy-6-(4-fluorophenyl)-1-azabicyclo(3.3.1)non-6-ene hydrochloride, [(4R,5S)-6-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-6-en-4-yl] propanoate;hydrochloride, [(5S,6R)-4-(4-fluorophenyl)-1-azabicyclo[3.3.1]non-3-en-6-yl] propanoate hydrochloride
| Molecular Formula | C17H21ClFNO2 |
| Molecular Weight | 325.12448 g/mol |
| XLogP | 3.2882 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.12448 Da |
| Heavy Atoms | 22 |
| Complexity | 415.0 |
| SMILES | CCC(=O)O[C@@H]1CCN2CC=C([C@H]1C2)C3=CC=C(C=C3)F.Cl |
| InChIKey | UBIAWBSPCYNXMC-QNBGGDODSA-N |
The XLogP value of 3.2882 indicates that Gyki 46903 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Gyki 46903 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Gyki 46903 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Gyki 46903 is 142999-59-5.
The molecular formula of Gyki 46903 is C17H21ClFNO2.
The molecular weight of Gyki 46903 is 325.12448 g/mol.
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