1-Azabicyclo(2.2.2)oct-2-ene
TL;DR: 1-Azabicyclo(2.2.2)oct-2-ene (CAS 13929-94-7) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]oct-2-ene
Also Known As: dehydroquinuclidine, 1-Azabicyclo[2.2.2]oct-2-ene, Aceclidine Impurity 3, 1-Azabicyclo(2.2.2)oct-2-ene, RefChem:74920
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 3.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 13929-94-7 |
|---|---|
| SMILES | C1CN2CCC1C=C2 |
| InChIKey | JRRHUIUXVVVOQH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Azabicyclo(2.2.2)oct-2-ene (CAS 13929-94-7), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 1-azabicyclo[2.2.2]oct-2-ene.
Chemical Property Profile of 1-Azabicyclo(2.2.2)oct-2-ene
Property Insights of 1-Azabicyclo(2.2.2)oct-2-ene
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azabicyclo(2.2.2)oct-2-ene. With a topological polar surface area (TPSA) of 3.2 Ų, 1-Azabicyclo(2.2.2)oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 1-Azabicyclo(2.2.2)oct-2-ene?
The CAS number of 1-Azabicyclo(2.2.2)oct-2-ene is 13929-94-7.
What is the molecular formula of 1-Azabicyclo(2.2.2)oct-2-ene?
The molecular formula of 1-Azabicyclo(2.2.2)oct-2-ene is C7H11N.
What is the molecular weight of 1-Azabicyclo(2.2.2)oct-2-ene?
The molecular weight of 1-Azabicyclo(2.2.2)oct-2-ene is 109.09 g/mol.
Where can I buy 1-Azabicyclo(2.2.2)oct-2-ene?
You can request a quote for 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 1-Azabicyclo(2.2.2)oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 1-Azabicyclo(2.2.2)oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.