3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
TL;DR: 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 10437-90-8) is a chemical compound with molecular formula C12H13NO and molecular weight 187.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene
Also Known As: 3-phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene, 2-oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-phenyl-, 2-phenyl-3-oxa-2-azabicyclo[2.2.2]oct-5-ene, 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene, AO-801/41077326
Technical Specifications
| Molecular Formula | C12H13NO |
| Molecular Weight | 187.09972 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 Da |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
| SMILES | C1CC2C=CC1N(O2)C3=CC=CC=C3 |
| InChIKey | SWADYRHRRIXQKS-UHFFFAOYSA-N |
Chemical Property Profile of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
Property Insights of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene. With a topological polar surface area (TPSA) of 12.5 Ų, 3-Phenyl-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, 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The CAS number of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is 10437-90-8.
What is the molecular formula of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular formula of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is C12H13NO.
What is the molecular weight of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular weight of 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is 187.09972 g/mol.
Where can I buy 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
You can request a quote for 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
Yes, CoreyChem provides custom synthesis services for 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.