1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
TL;DR: 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester (CAS 383902-24-7) is a chemical compound with molecular formula C15H13F2NO3 and molecular weight 293.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7-difluoro-4-oxo-1-prop-2-enylquinoline-3-carboxylate
Also Known As: ethyl 6,7-difluoro-4-oxo-1-prop-2-enylquinoline-3-carboxylate, ethyl 1-allyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylate, 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester, ethyl 6,7-difluoro-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxylate
| Molecular Formula | C15H13F2NO3 |
|---|---|
| Molecular Weight | 293.09 g/mol |
| LogP | 2.6424 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 293.08636 |
| Heavy Atoms | 21 |
| Complexity | 780.56287 |
Chemical Identifiers
| CAS Number | 383902-24-7 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)F)CC=C |
Product Overview
1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester (CAS 383902-24-7), with molecular formula C15H13F2NO3 and molecular weight 293.09 g/mol. IUPAC: ethyl 6,7-difluoro-4-oxo-1-prop-2-enylquinoline-3-carboxylate.
Chemical Property Profile of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
Property Insights of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester
The XLogP value of 2.6424 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester. With a topological polar surface area (TPSA) of 48.3 Ų, 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester 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 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester?
The CAS number of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester is 383902-24-7.
What is the molecular formula of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester?
The molecular formula of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester is C15H13F2NO3.
What is the molecular weight of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester?
The molecular weight of 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester is 293.09 g/mol.
Where can I buy 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester?
You can request a quote for 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Allyl-6,7-difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.