2-Azabicyclo(2.2.2)octane
TL;DR: 2-Azabicyclo(2.2.2)octane (CAS 280-38-6) is a chemical compound with molecular formula C7H13N and molecular weight 111.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-azabicyclo[2.2.2]octane
Also Known As: 2-Azabicyclo[2.2.2]octane, Isoquinuclidine, Isochinuclidin, 3-azabicyclo[2.2.2]octane, 2-AZABICYCLO(2.2.2)OCTANE
| Molecular Formula | C7H13N |
|---|---|
| Molecular Weight | 111.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 12.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.1048 |
| Heavy Atoms | 8 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 280-38-6 |
|---|---|
| SMILES | C1CC2CCC1CN2 |
| InChIKey | KPUSZZFAYGWAHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Azabicyclo(2.2.2)octane (CAS 280-38-6), with molecular formula C7H13N and molecular weight 111.10 g/mol. IUPAC: 2-azabicyclo[2.2.2]octane.
Chemical Property Profile of 2-Azabicyclo(2.2.2)octane
Property Insights of 2-Azabicyclo(2.2.2)octane
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Azabicyclo(2.2.2)octane. With a topological polar surface area (TPSA) of 12.0 Ų, 2-Azabicyclo(2.2.2)octane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Azabicyclo(2.2.2)octane has 1 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-Azabicyclo(2.2.2)octane?
The CAS number of 2-Azabicyclo(2.2.2)octane is 280-38-6.
What is the molecular formula of 2-Azabicyclo(2.2.2)octane?
The molecular formula of 2-Azabicyclo(2.2.2)octane is C7H13N.
What is the molecular weight of 2-Azabicyclo(2.2.2)octane?
The molecular weight of 2-Azabicyclo(2.2.2)octane is 111.10 g/mol.
Where can I buy 2-Azabicyclo(2.2.2)octane?
You can request a quote for 2-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 2-Azabicyclo(2.2.2)octane?
Yes, KEHONG BIO provides custom synthesis services for 2-Azabicyclo(2.2.2)octane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.