4-Chloro-1-azabicyclo(2.2.2)octane
TL;DR: 4-Chloro-1-azabicyclo(2.2.2)octane (CAS 5960-95-2) is a chemical compound with molecular formula C7H12ClN and molecular weight 145.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-azabicyclo[2.2.2]octane
Also Known As: 4-Chloroquinuclidine, 4-Chloro-1-azabicyclo[2.2.2]octane, 4-Chloroquinuclidine #, 4-Chloro-1-azabicyclo(2.2.2)octane, 1-Azabicyclo[2.2.2]octane,4-chloro-
| Molecular Formula | C7H12ClN |
|---|---|
| Molecular Weight | 145.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.06583 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 5960-95-2 |
|---|---|
| SMILES | C1CN2CCC1(CC2)Cl |
| InChIKey | CHAXYLNTCZVHBJ-UHFFFAOYSA-N |
Product Overview
4-Chloro-1-azabicyclo(2.2.2)octane (CAS 5960-95-2), with molecular formula C7H12ClN and molecular weight 145.07 g/mol. IUPAC: 4-chloro-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 4-Chloro-1-azabicyclo(2.2.2)octane
Property Insights of 4-Chloro-1-azabicyclo(2.2.2)octane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1-azabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 3.2 Ų, 4-Chloro-1-azabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-azabicyclo(2.2.2)octane 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 4-Chloro-1-azabicyclo(2.2.2)octane?
The CAS number of 4-Chloro-1-azabicyclo(2.2.2)octane is 5960-95-2.
What is the molecular formula of 4-Chloro-1-azabicyclo(2.2.2)octane?
The molecular formula of 4-Chloro-1-azabicyclo(2.2.2)octane is C7H12ClN.
What is the molecular weight of 4-Chloro-1-azabicyclo(2.2.2)octane?
The molecular weight of 4-Chloro-1-azabicyclo(2.2.2)octane is 145.07 g/mol.
Where can I buy 4-Chloro-1-azabicyclo(2.2.2)octane?
You can request a quote for 4-Chloro-1-azabicyclo(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 4-Chloro-1-azabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-azabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.