2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene
TL;DR: 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene (CAS 756473-59-3) is a chemical compound with molecular formula C17H22ClN and molecular weight 275.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene
Also Known As: 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene, 2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene, 1-Azabicyclo(2.2.2)oct-2-ene, 2-butyl-3-(4-chlorophenyl)-, RefChem:86028
| Molecular Formula | C17H22ClN |
|---|---|
| Molecular Weight | 275.14 g/mol |
| LogP | 4.9669 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 275.14407 |
| Heavy Atoms | 19 |
| Complexity | 466.54037 |
Chemical Identifiers
| CAS Number | 756473-59-3 |
|---|---|
| SMILES | CCCCC1=C(C2CCN1CC2)C3=CC=C(C=C3)Cl |
Product Overview
2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene (CAS 756473-59-3), with molecular formula C17H22ClN and molecular weight 275.14 g/mol. IUPAC: 2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene
Property Insights of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene
The XLogP value of 4.9669 indicates that 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene 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 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene?
The CAS number of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene is 756473-59-3.
What is the molecular formula of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene?
The molecular formula of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene is C17H22ClN.
What is the molecular weight of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene?
The molecular weight of 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene is 275.14 g/mol.
Where can I buy 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene?
You can request a quote for 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.