Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
TL;DR: Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 100505-08-6) is a chemical compound with molecular formula C14H13F2NO3 and molecular weight 281.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate
Also Known As: ChemDiv3_004361, ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate, IDI1_022271, ethyl 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate, BRD-K57068775-001-01-5
| Molecular Formula | C14H13F2NO3 |
|---|---|
| Molecular Weight | 281.09 g/mol |
| LogP | 2.4763 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 281.08636 |
| Heavy Atoms | 20 |
| Complexity | 737.25696 |
Chemical Identifiers
| CAS Number | 100505-08-6 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)OCC |
Product Overview
Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate (CAS 100505-08-6), with molecular formula C14H13F2NO3 and molecular weight 281.09 g/mol. IUPAC: ethyl 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylate.
Chemical Property Profile of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
Property Insights of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate
The XLogP value of 2.4763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate. With a topological polar surface area (TPSA) of 48.3 Ų, Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-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 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The CAS number of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 100505-08-6.
What is the molecular formula of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular formula of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is C14H13F2NO3.
What is the molecular weight of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
The molecular weight of Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate is 281.09 g/mol.
Where can I buy Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
You can request a quote for Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-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 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.