Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate (CAS 168214-61-7) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-bromo-2,4-dioxo-1H-quinoline-3-carboxylate
Also Known As: ethyl 3-bromo-2,4-dioxo-1H-quinoline-3-carboxylate, ethyl 3-bromo-2,4-dioxo-1,2,3,4-tetrahydroquinoline-3-carboxylate, ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 1.5182 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 542.63385 |
Chemical Identifiers
| CAS Number | 168214-61-7 |
|---|---|
| SMILES | CCOC(=O)C1(C(=O)C2=CC=CC=C2NC1=O)Br |
Product Overview
Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate (CAS 168214-61-7), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: ethyl 3-bromo-2,4-dioxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate
The XLogP value of 1.5182 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 4 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 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate is 168214-61-7.
What is the molecular formula of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate is C12H10BrNO4.
What is the molecular weight of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate is 310.98 g/mol.
Where can I buy Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-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 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-bromo-2-hydroxy-4-oxo-3,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.