1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
TL;DR: 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 294644-88-5) is a chemical compound with molecular formula C12H9F2NO3 and molecular weight 253.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
Also Known As: 1-ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid, ChemDiv3_004317, 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid, IDI1_022227, J2.303.605C
| Molecular Formula | C12H9F2NO3 |
|---|---|
| Molecular Weight | 253.06 g/mol |
| LogP | 1.9978 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.05505 |
| Heavy Atoms | 18 |
| Complexity | 706.51526 |
Chemical Identifiers
| CAS Number | 294644-88-5 |
|---|---|
| SMILES | CCN1C=C(C(=O)C2=CC(=C(C=C21)F)F)C(=O)O |
Product Overview
1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid (CAS 294644-88-5), with molecular formula C12H9F2NO3 and molecular weight 253.06 g/mol. IUPAC: 1-ethyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid.
Chemical Property Profile of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Property Insights of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
The XLogP value of 1.9978 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid. With a topological polar surface area (TPSA) of 59.3 Ų, 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid has 1 hydrogen bond donor(s) and 2 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 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The CAS number of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 294644-88-5.
What is the molecular formula of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular formula of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is C12H9F2NO3.
What is the molecular weight of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
The molecular weight of 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid is 253.06 g/mol.
Where can I buy 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
You can request a quote for 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.