![Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- structure](/static/products/5773/57734-94-8.webp)
Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-
TL;DR: Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- (CAS 57734-94-8) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanone
Also Known As: 3-benzoylquinuclidine, TimTec1_004414, Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-, phenyl(quinuclidin-3-yl)methanone, 1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanone
| Molecular Formula | C14H17NO |
|---|---|
| Molecular Weight | 215.13 g/mol |
| LogP | 2.2111 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.13101 |
| Heavy Atoms | 16 |
| Complexity | 378.98163 |
Chemical Identifiers
| CAS Number | 57734-94-8 |
|---|---|
| SMILES | C1CN2CCC1C(C2)C(=O)C3=CC=CC=C3 |
Product Overview
Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- (CAS 57734-94-8), with molecular formula C14H17NO and molecular weight 215.13 g/mol. IUPAC: 1-azabicyclo[2.2.2]octan-3-yl(phenyl)methanone.
Chemical Property Profile of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-
Property Insights of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-
The XLogP value of 2.2111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-. With a topological polar surface area (TPSA) of 20.31 Ų, Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- 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 Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-?
The CAS number of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- is 57734-94-8.
What is the molecular formula of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-?
The molecular formula of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- is C14H17NO.
What is the molecular weight of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-?
The molecular weight of Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- is 215.13 g/mol.
Where can I buy Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-?
You can request a quote for Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl-?
Yes, KEHONG BIO provides custom synthesis services for Methanone, 1-azabicyclo[2.2.2]oct-3-ylphenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.