Ethyl 4-oxo-4H-quinolizine-3-carboxylate
TL;DR: Ethyl 4-oxo-4H-quinolizine-3-carboxylate (CAS 88612-71-9) is a chemical compound with molecular formula C12H11NO3 and molecular weight 217.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxoquinolizine-3-carboxylate
Also Known As: Ethyl 4-oxo-4H-quinolizine-3-carboxylate, Ethyl 4-Oxo-4H-quinolizine-3-carboxlate, Ethyl 4-oxoquinolizine-3-carboxylate, 3-ethoxycarbonyl-4H-quinolizin-4-one, 3-(Ethoxycarbonyl)-4H-quinolizin-4-one
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.4762 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 586.07874 |
Chemical Identifiers
| CAS Number | 88612-71-9 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C2C=CC=CN2C1=O |
Product Overview
Ethyl 4-oxo-4H-quinolizine-3-carboxylate (CAS 88612-71-9), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 4-oxoquinolizine-3-carboxylate.
Chemical Property Profile of Ethyl 4-oxo-4H-quinolizine-3-carboxylate
Property Insights of Ethyl 4-oxo-4H-quinolizine-3-carboxylate
The XLogP value of 1.4762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4H-quinolizine-3-carboxylate. With a topological polar surface area (TPSA) of 47.78 Ų, Ethyl 4-oxo-4H-quinolizine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4H-quinolizine-3-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 4-oxo-4H-quinolizine-3-carboxylate?
The CAS number of Ethyl 4-oxo-4H-quinolizine-3-carboxylate is 88612-71-9.
What is the molecular formula of Ethyl 4-oxo-4H-quinolizine-3-carboxylate?
The molecular formula of Ethyl 4-oxo-4H-quinolizine-3-carboxylate is C12H11NO3.
What is the molecular weight of Ethyl 4-oxo-4H-quinolizine-3-carboxylate?
The molecular weight of Ethyl 4-oxo-4H-quinolizine-3-carboxylate is 217.07 g/mol.
Where can I buy Ethyl 4-oxo-4H-quinolizine-3-carboxylate?
You can request a quote for Ethyl 4-oxo-4H-quinolizine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-oxo-4H-quinolizine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4H-quinolizine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.