3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
TL;DR: 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 96093-86-6) is a chemical compound with molecular formula C13H13NO2 and molecular weight 215.09 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-en-3-yl(phenyl)methanone
Also Known As: 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene, 3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]oct-5-ene, 3-oxa-2-azabicyclo[2.2.2]oct-5-en-2-yl(phenyl)methanone, 2-Benzoyl-tetrahydro-3,6-etheno-2H-1,2-oxazine, 3-Benzoyl-2-oxa-3-azabicyclo[2.2.2]octa-5-ene
| Molecular Formula | C13H13NO2 |
|---|---|
| Molecular Weight | 215.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 215.09464 |
| Heavy Atoms | 16 |
| Complexity | 307.0 |
Chemical Identifiers
| CAS Number | 96093-86-6 |
|---|---|
| SMILES | C1CC2C=CC1N(O2)C(=O)C3=CC=CC=C3 |
| InChIKey | UDSPWWLYUFTTAW-UHFFFAOYSA-N |
Product Overview
3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene (CAS 96093-86-6), with molecular formula C13H13NO2 and molecular weight 215.09 g/mol. IUPAC: 2-oxa-3-azabicyclo[2.2.2]oct-5-en-3-yl(phenyl)methanone.
Chemical Property Profile of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
Property Insights of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Benzoyl-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-Benzoyl-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-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The CAS number of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is 96093-86-6.
What is the molecular formula of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular formula of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is C13H13NO2.
What is the molecular weight of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
The molecular weight of 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene is 215.09 g/mol.
Where can I buy 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
You can request a quote for 3-Benzoyl-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-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-2-oxa-3-azabicyclo(2.2.2)oct-5-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.