Quinuclidin-3-yl 3-fluorobenzoate hydrochloride
TL;DR: Quinuclidin-3-yl 3-fluorobenzoate hydrochloride (CAS 1052406-46-8) is a chemical compound with molecular formula C14H17ClFNO2 and molecular weight 285.09317 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 3-fluorobenzoate;hydrochloride
Also Known As: quinuclidin-3-yl 3-fluorobenzoate hydrochloride, 1-azabicyclo[2.2.2]oct-8-yl 3-fluorobenzoate Hydrochloride, 1-azabicyclo[2.2.2]octan-3-yl 3-fluorobenzoate hydrochloride, 1-azoniabicyclo[2.2.2]octan-3-yl 3-fluorobenzoate;chloride
Technical Specifications
| Molecular Formula | C14H17ClFNO2 |
| Molecular Weight | 285.09317 g/mol |
| XLogP | 2.4985 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.09317 Da |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
| SMILES | C1CN2CCC1C(C2)OC(=O)C3=CC(=CC=C3)F.Cl |
| InChIKey | CAYIUDZMSVRLQK-UHFFFAOYSA-N |
Chemical Property Profile of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride
Property Insights of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride
The XLogP value of 2.4985 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinuclidin-3-yl 3-fluorobenzoate hydrochloride. With a topological polar surface area (TPSA) of 29.5 Ų, Quinuclidin-3-yl 3-fluorobenzoate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinuclidin-3-yl 3-fluorobenzoate hydrochloride has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride?
The CAS number of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride is 1052406-46-8.
What is the molecular formula of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride?
The molecular formula of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride is C14H17ClFNO2.
What is the molecular weight of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride?
The molecular weight of Quinuclidin-3-yl 3-fluorobenzoate hydrochloride is 285.09317 g/mol.
Where can I buy Quinuclidin-3-yl 3-fluorobenzoate hydrochloride?
You can request a quote for Quinuclidin-3-yl 3-fluorobenzoate hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Quinuclidin-3-yl 3-fluorobenzoate hydrochloride?
Yes, CoreyChem provides custom synthesis services for Quinuclidin-3-yl 3-fluorobenzoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.