2H-1,4-Ethanoquinolin-3(4H)-one
TL;DR: 2H-1,4-Ethanoquinolin-3(4H)-one (CAS 24562-79-6) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one
Also Known As: 2H-1,4-Ethanoquinolin-3(4H)-one, benzo(b)quinuclidone, Benzo[b]quinuclidin-3-one, Benz[b]quinuclidone 3, 3-Oxobenzo[b]quinuclidine
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 24562-79-6 |
|---|---|
| SMILES | C1CN2CC(=O)C1C3=CC=CC=C32 |
| InChIKey | BMOVMBWMZREDBR-UHFFFAOYSA-N |
Product Overview
2H-1,4-Ethanoquinolin-3(4H)-one (CAS 24562-79-6), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 1-azatricyclo[6.2.2.02,7]dodeca-2,4,6-trien-9-one.
Chemical Property Profile of 2H-1,4-Ethanoquinolin-3(4H)-one
Property Insights of 2H-1,4-Ethanoquinolin-3(4H)-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1,4-Ethanoquinolin-3(4H)-one. With a topological polar surface area (TPSA) of 20.3 Ų, 2H-1,4-Ethanoquinolin-3(4H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1,4-Ethanoquinolin-3(4H)-one 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 2H-1,4-Ethanoquinolin-3(4H)-one?
The CAS number of 2H-1,4-Ethanoquinolin-3(4H)-one is 24562-79-6.
What is the molecular formula of 2H-1,4-Ethanoquinolin-3(4H)-one?
The molecular formula of 2H-1,4-Ethanoquinolin-3(4H)-one is C11H11NO.
What is the molecular weight of 2H-1,4-Ethanoquinolin-3(4H)-one?
The molecular weight of 2H-1,4-Ethanoquinolin-3(4H)-one is 173.08 g/mol.
Where can I buy 2H-1,4-Ethanoquinolin-3(4H)-one?
You can request a quote for 2H-1,4-Ethanoquinolin-3(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-1,4-Ethanoquinolin-3(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2H-1,4-Ethanoquinolin-3(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.