![2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane structure](/static/products/395/395059-30-0.png)
2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane
TL;DR: 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane (CAS 395059-30-0) is a chemical compound with molecular formula C19H21FN2 and molecular weight 296.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane
Also Known As: 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane, 7-benzyl-3-(4-fluorophenyl)-3,7-diazabicyclo[2.2.2]octane, 2-Benzyl-5-(4-fluoro-phenyl)-2,5-diaza-bicyclo[2.2.2]octane
| Molecular Formula | C19H21FN2 |
|---|---|
| Molecular Weight | 296.17 g/mol |
| LogP | 3.6789 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.16888 |
| Heavy Atoms | 22 |
| Complexity | 625.64325 |
Chemical Identifiers
| CAS Number | 395059-30-0 |
|---|---|
| SMILES | C1CC2CN(C1CN2CC3=CC=CC=C3)C4=CC=C(C=C4)F |
Product Overview
2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane (CAS 395059-30-0), with molecular formula C19H21FN2 and molecular weight 296.17 g/mol. IUPAC: 2-benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane
Property Insights of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane
The XLogP value of 3.6789 indicates that 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane has 0 hydrogen bond donor(s) and 2 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 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane?
The CAS number of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane is 395059-30-0.
What is the molecular formula of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane?
The molecular formula of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane is C19H21FN2.
What is the molecular weight of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane?
The molecular weight of 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane is 296.17 g/mol.
Where can I buy 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane?
You can request a quote for 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.