![3-Chloro-1-azabicyclo[2.2.2]octane structure](/static/products/3360/33601-77-3.webp)
3-Chloro-1-azabicyclo[2.2.2]octane
TL;DR: 3-Chloro-1-azabicyclo[2.2.2]octane (CAS 33601-77-3) 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.
3-chloro-1-azabicyclo[2.2.2]octane
Also Known As: 3-Chloroquinuclidine, 3-Chloro-1-azabicyclo[2.2.2]octane, 3-Chloroquinuclidine #, Quinuclidine, 3-chloro-, 3-Chloroquinuclidine hydrochloride
| 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 | 107.0 |
Chemical Identifiers
| CAS Number | 33601-77-3 |
|---|---|
| SMILES | C1CN2CCC1C(C2)Cl |
| InChIKey | NOLVABYTFMDREN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1-azabicyclo[2.2.2]octane (CAS 33601-77-3), with molecular formula C7H12ClN and molecular weight 145.07 g/mol. IUPAC: 3-chloro-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 3-Chloro-1-azabicyclo[2.2.2]octane
Property Insights of 3-Chloro-1-azabicyclo[2.2.2]octane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1-azabicyclo[2.2.2]octane. With a topological polar surface area (TPSA) of 3.2 Ų, 3-Chloro-1-azabicyclo[2.2.2]octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Chloro-1-azabicyclo[2.2.2]octane?
The CAS number of 3-Chloro-1-azabicyclo[2.2.2]octane is 33601-77-3.
What is the molecular formula of 3-Chloro-1-azabicyclo[2.2.2]octane?
The molecular formula of 3-Chloro-1-azabicyclo[2.2.2]octane is C7H12ClN.
What is the molecular weight of 3-Chloro-1-azabicyclo[2.2.2]octane?
The molecular weight of 3-Chloro-1-azabicyclo[2.2.2]octane is 145.07 g/mol.
Where can I buy 3-Chloro-1-azabicyclo[2.2.2]octane?
You can request a quote for 3-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 3-Chloro-1-azabicyclo[2.2.2]octane?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1-azabicyclo[2.2.2]octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.