Ethyl 4-oxo-4h-quinolizine-1-carboxylate
TL;DR: Ethyl 4-oxo-4h-quinolizine-1-carboxylate (CAS 24539-87-5) 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-1-carboxylate
Also Known As: ethyl 4-oxo-4h-quinolizine-1-carboxylate, ethyl 4-oxoquinolizine-1-carboxylate, 1,3-Diethoxycarbonyl-4H-chinolizin-4-on, J1.614.019H, AQ-405/42300490
| Molecular Formula | C12H11NO3 |
|---|---|
| Molecular Weight | 217.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.0739 |
| Heavy Atoms | 16 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 24539-87-5 |
|---|---|
| SMILES | CCOC(=O)C1=C2C=CC=CN2C(=O)C=C1 |
| InChIKey | LRYIQNJLUHCZLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-oxo-4h-quinolizine-1-carboxylate (CAS 24539-87-5), with molecular formula C12H11NO3 and molecular weight 217.07 g/mol. IUPAC: ethyl 4-oxoquinolizine-1-carboxylate.
Chemical Property Profile of Ethyl 4-oxo-4h-quinolizine-1-carboxylate
Property Insights of Ethyl 4-oxo-4h-quinolizine-1-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-oxo-4h-quinolizine-1-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 4-oxo-4h-quinolizine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-oxo-4h-quinolizine-1-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-1-carboxylate?
The CAS number of Ethyl 4-oxo-4h-quinolizine-1-carboxylate is 24539-87-5.
What is the molecular formula of Ethyl 4-oxo-4h-quinolizine-1-carboxylate?
The molecular formula of Ethyl 4-oxo-4h-quinolizine-1-carboxylate is C12H11NO3.
What is the molecular weight of Ethyl 4-oxo-4h-quinolizine-1-carboxylate?
The molecular weight of Ethyl 4-oxo-4h-quinolizine-1-carboxylate is 217.07 g/mol.
Where can I buy Ethyl 4-oxo-4h-quinolizine-1-carboxylate?
You can request a quote for Ethyl 4-oxo-4h-quinolizine-1-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-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-oxo-4h-quinolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.