Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate
TL;DR: Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate (CAS 692764-09-3) is a chemical compound with molecular formula C15H17NO4 and molecular weight 275.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylate
Also Known As: ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate, ethyl 4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylate, ethyl 4-hydroxy-6-isopropoxyquinoline-3-carboxylate, ethyl 6-(methylethoxy)-4-oxohydroquinoline-3-carboxylate, ethyl1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate
| Molecular Formula | C15H17NO4 |
|---|---|
| Molecular Weight | 275.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 64.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.11575 |
| Heavy Atoms | 20 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 692764-09-3 |
|---|---|
| SMILES | CCOC(=O)C1=CNC2=C(C1=O)C=C(C=C2)OC(C)C |
| InChIKey | HIVBMQCWQDVMNZ-UHFFFAOYSA-N |
Product Overview
Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate (CAS 692764-09-3), with molecular formula C15H17NO4 and molecular weight 275.12 g/mol. IUPAC: ethyl 4-oxo-6-propan-2-yloxy-1H-quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate
Property Insights of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate. The TPSA of 64.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate has 1 hydrogen bond donor(s) and 5 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 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate?
The CAS number of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate is 692764-09-3.
What is the molecular formula of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate?
The molecular formula of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate is C15H17NO4.
What is the molecular weight of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate?
The molecular weight of Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate is 275.12 g/mol.
Where can I buy Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate?
You can request a quote for Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-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 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,4-dihydro-6-isopropoxy-4-oxoquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.