3-Ethynyl-3-fluoroquinuclidine
TL;DR: 3-Ethynyl-3-fluoroquinuclidine (CAS 515154-63-9) is a chemical compound with molecular formula C9H12FN and molecular weight 153.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethynyl-3-fluoro-1-azabicyclo[2.2.2]octane
Also Known As: 3-ethynyl-3-fluoroquinuclidine, 8-ethynyl-8-fluoro-1-azabicyclo[2.2.2]octane, 1-Azabicyclo[2.2.2]octane, 3-ethynyl-3-fluoro- (9CI)
| Molecular Formula | C9H12FN |
|---|---|
| Molecular Weight | 153.10 g/mol |
| LogP | 1.0535 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 153.09538 |
| Heavy Atoms | 11 |
| Complexity | 200.0985 |
Chemical Identifiers
| CAS Number | 515154-63-9 |
|---|---|
| SMILES | C#CC1(CN2CCC1CC2)F |
Product Overview
3-Ethynyl-3-fluoroquinuclidine (CAS 515154-63-9), with molecular formula C9H12FN and molecular weight 153.10 g/mol. IUPAC: 3-ethynyl-3-fluoro-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 3-Ethynyl-3-fluoroquinuclidine
Property Insights of 3-Ethynyl-3-fluoroquinuclidine
The XLogP value of 1.0535 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethynyl-3-fluoroquinuclidine. With a topological polar surface area (TPSA) of 3.24 Ų, 3-Ethynyl-3-fluoroquinuclidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethynyl-3-fluoroquinuclidine has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Ethynyl-3-fluoroquinuclidine?
The CAS number of 3-Ethynyl-3-fluoroquinuclidine is 515154-63-9.
What is the molecular formula of 3-Ethynyl-3-fluoroquinuclidine?
The molecular formula of 3-Ethynyl-3-fluoroquinuclidine is C9H12FN.
What is the molecular weight of 3-Ethynyl-3-fluoroquinuclidine?
The molecular weight of 3-Ethynyl-3-fluoroquinuclidine is 153.10 g/mol.
Where can I buy 3-Ethynyl-3-fluoroquinuclidine?
You can request a quote for 3-Ethynyl-3-fluoroquinuclidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethynyl-3-fluoroquinuclidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethynyl-3-fluoroquinuclidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.