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 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C12H13NO |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | 2.5254 |
| Topological Polar Surface Area | 12.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 187.09972 |
| Heavy Atoms | 14 |
| Complexity | 346.59918 |
Chemical Identifiers
| CAS Number | 10437-90-8 |
|---|---|
| SMILES | C1CC2C=CC1N(O2)C3=CC=CC=C3 |
Product Overview
3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 10437-90-8), with molecular formula C12H13NO and molecular weight 187.10 g/mol. IUPAC: 3-phenyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene.
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 2.5254 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 12.47 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
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 187.10 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
Yes, KEHONG BIO 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.