2-Oxa-3-azabicyclo(2.2.2)oct-5-ene
TL;DR: 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 7160-44-3) is a chemical compound with molecular formula C6H9NO and molecular weight 111.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxa-3-azabicyclo[2.2.2]oct-5-ene
Also Known As: 2-oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-oxa-2-azabicyclo[2.2.2]oct-5-ene, 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene, 2-Oxa-3-azabicyclo[2.2.2]octa-5-ene, 5-Oxa-6-azabicyclo[2.2.2]octa-2-ene
| Molecular Formula | C6H9NO |
|---|---|
| Molecular Weight | 111.07 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 21.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 111.06841 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 7160-44-3 |
|---|---|
| SMILES | C1CC2C=CC1NO2 |
| InChIKey | PDGIWPLEXHDKNR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 7160-44-3), with molecular formula C6H9NO and molecular weight 111.07 g/mol. IUPAC: 2-oxa-3-azabicyclo[2.2.2]oct-5-ene.
Chemical Property Profile of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene
Property Insights of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene. With a topological polar surface area (TPSA) of 21.3 Ų, 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene has 1 hydrogen bond donor(s) and 2 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-Oxa-3-azabicyclo(2.2.2)oct-5-ene?
The CAS number of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene is 7160-44-3.
What is the molecular formula of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular formula of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene is C6H9NO.
What is the molecular weight of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular weight of 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene is 111.07 g/mol.
Where can I buy 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene?
You can request a quote for 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxa-3-azabicyclo(2.2.2)oct-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.