![1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate structure](/static/products/500/500272-97-9.png)
1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate
TL;DR: 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate (CAS 500272-97-9) is a chemical compound with molecular formula C15H18FNO3 and molecular weight 279.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenoxy)acetate
Also Known As: BAS 04944896, 1-azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate, 1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenoxy)acetate, (4-Fluoro-phenoxy)-acetic acid 1-aza-bicyclo[2.2.2]oct-3-yl ester
| Molecular Formula | C15H18FNO3 |
|---|---|
| Molecular Weight | 279.13 g/mol |
| LogP | 1.8419 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.12708 |
| Heavy Atoms | 20 |
| Complexity | 468.5119 |
Chemical Identifiers
| CAS Number | 500272-97-9 |
|---|---|
| SMILES | C1CN2CCC1C(C2)OC(=O)COC3=CC=C(C=C3)F |
Product Overview
1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate (CAS 500272-97-9), with molecular formula C15H18FNO3 and molecular weight 279.13 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl 2-(4-fluorophenoxy)acetate.
Chemical Property Profile of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate
Property Insights of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate
The XLogP value of 1.8419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate. With a topological polar surface area (TPSA) of 38.77 Ų, 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate has 0 hydrogen bond donor(s) and 4 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 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate?
The CAS number of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate is 500272-97-9.
What is the molecular formula of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate?
The molecular formula of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate is C15H18FNO3.
What is the molecular weight of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate?
The molecular weight of 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate is 279.13 g/mol.
Where can I buy 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate?
You can request a quote for 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo[2.2.2]oct-3-yl (4-fluorophenoxy)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.