Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate
TL;DR: Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS 228728-23-2) is a chemical compound with molecular formula C12H10INO3 and molecular weight 342.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-iodo-4-oxo-1H-quinoline-3-carboxylate
Also Known As: Ethyl 6-iodo-4-oxo-1,4-dihydroquinoline-3-carboxylate, ethyl 4-hydroxy-6-iodoquinoline-3-carboxylate, 4-Hydroxy-6-iodoquinoline-3-carboxylic acid ethyl ester, ethyl 6-iodo-4-oxo-1H-quinoline-3-carboxylate, ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate
| Molecular Formula | C12H10INO3 |
|---|---|
| Molecular Weight | 342.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 342.97055 |
| Heavy Atoms | 17 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 228728-23-2 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)I |
| InChIKey | NPZATCMFCFASBE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate (CAS 228728-23-2), with molecular formula C12H10INO3 and molecular weight 342.97 g/mol. IUPAC: ethyl 6-iodo-4-oxo-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate
Property Insights of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate 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 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The CAS number of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate is 228728-23-2.
What is the molecular formula of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The molecular formula of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate is C12H10INO3.
What is the molecular weight of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
The molecular weight of Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate is 342.97 g/mol.
Where can I buy Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
You can request a quote for Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-iodo-4-oxo-1,4-dihydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.