2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone
TL;DR: 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone (CAS 341965-87-5) is a chemical compound with molecular formula C15H14F3NO and molecular weight 281.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one
Also Known As: Bionet2_000859, 2-{[2-(trifluoromethyl)phenyl]methylene}-3-quinuclidinone, (2Z)-2-{[2-(trifluoromethyl)phenyl]methylidene}-1-azabicyclo[2.2.2]octan-3-one, 10L-723, 2-{2-(Trifluoromethyl)phenylmethylene}-3-quinuclidinone
| Molecular Formula | C15H14F3NO |
|---|---|
| Molecular Weight | 281.10 g/mol |
| LogP | 3.341 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 281.10275 |
| Heavy Atoms | 20 |
| Complexity | 568.7265 |
Chemical Identifiers
| CAS Number | 341965-87-5 |
|---|---|
| SMILES | C1CN\2CCC1C(=O)/C2=C/C3=CC=CC=C3C(F)(F)F |
Product Overview
2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone (CAS 341965-87-5), with molecular formula C15H14F3NO and molecular weight 281.10 g/mol. IUPAC: (2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]-1-azabicyclo[2.2.2]octan-3-one.
Chemical Property Profile of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone
Property Insights of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone
The XLogP value of 3.341 indicates that 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone 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 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone?
The CAS number of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone is 341965-87-5.
What is the molecular formula of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone?
The molecular formula of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone is C15H14F3NO.
What is the molecular weight of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone?
The molecular weight of 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone is 281.10 g/mol.
Where can I buy 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone?
You can request a quote for 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(Trifluoromethyl)phenyl]methylene}-3-quinuclidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.