Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate
TL;DR: Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate (CAS 866155-86-4) is a chemical compound with molecular formula C16H17FN2O2 and molecular weight 288.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 8-fluoro-5-methyl-4-(prop-2-enylamino)quinoline-3-carboxylate
Also Known As: ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate, Ethyl 8-fluoro-5-methyl-4-(prop-2-enylamino)quinoline-3-carboxylate, ethyl 8-fluoro-5-methyl-4-[(prop-2-en-1-yl)amino]quinoline-3-carboxylate, ethyl8-fluoro-5-methyl-4-[(prop-2-en-1-yl)amino]quinoline-3-carboxylate
| Molecular Formula | C16H17FN2O2 |
|---|---|
| Molecular Weight | 288.13 g/mol |
| LogP | 3.45692 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.1274 |
| Heavy Atoms | 21 |
| Complexity | 698.22675 |
Chemical Identifiers
| CAS Number | 866155-86-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(C=CC(=C2N=C1)F)C)NCC=C |
Product Overview
Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate (CAS 866155-86-4), with molecular formula C16H17FN2O2 and molecular weight 288.13 g/mol. IUPAC: ethyl 8-fluoro-5-methyl-4-(prop-2-enylamino)quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate
Property Insights of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate
The XLogP value of 3.45692 indicates that Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(allylamino)-8-fluoro-5-methyl-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 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate?
The CAS number of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate is 866155-86-4.
What is the molecular formula of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate?
The molecular formula of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate is C16H17FN2O2.
What is the molecular weight of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate?
The molecular weight of Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate is 288.13 g/mol.
Where can I buy Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate?
You can request a quote for Ethyl 4-(allylamino)-8-fluoro-5-methyl-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 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(allylamino)-8-fluoro-5-methyl-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.