ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate
TL;DR: ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate (CAS 1556-23-6) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.9844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 3-bromo-4-oxoquinolizine-1-carboxylate
Also Known As: ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate, ethyl 3-bromo-4-oxoquinolizine-1-carboxylate, 3-bromo-4-oxo-4H-quinolizine-1-carboxylic acid ethyl ester
Technical Specifications
| Molecular Formula | C12H10BrNO3 |
| Molecular Weight | 294.9844 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9844 Da |
| Heavy Atoms | 17 |
| Complexity | 500.0 |
| SMILES | CCOC(=O)C1=C2C=CC=CN2C(=O)C(=C1)Br |
| InChIKey | KBAVSMAYRNASIF-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate
Property Insights of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate. With a topological polar surface area (TPSA) of 46.6 Ų, ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 3-bromo-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
What is the CAS number of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate?
The CAS number of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate is 1556-23-6.
What is the molecular formula of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate?
The molecular formula of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate is C12H10BrNO3.
What is the molecular weight of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate?
The molecular weight of ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate is 294.9844 g/mol.
Where can I buy ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate?
You can request a quote for ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-bromo-4-oxo-4H-quinolizine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.