Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate
TL;DR: Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate (CAS 127446-96-2) is a chemical compound with molecular formula C22H28F3N3O3 and molecular weight 439.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate
Also Known As: Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate, 3-Quinolinecarboxylic acid, 4-((2-((dipropylamino)-1-methyl-2-oxoethyl)amino)-7-(trifluoromethyl)-, ethyl ester, (+-)-, ethyl 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate, Ethyl 4-{[1-(dipropylamino)-1-oxopropan-2-yl]imino}-7-(trifluoromethyl)-1,4-dihydroquinoline-3-carboxylate, RefChem:282556
| Molecular Formula | C22H28F3N3O3 |
|---|---|
| Molecular Weight | 439.21 g/mol |
| LogP | 4.8793 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 439.20828 |
| Heavy Atoms | 31 |
| Complexity | 925.3376 |
Chemical Identifiers
| CAS Number | 127446-96-2 |
|---|---|
| SMILES | CCCN(CCC)C(=O)C(C)NC1=C2C=CC(=CC2=NC=C1C(=O)OCC)C(F)(F)F |
Product Overview
Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate (CAS 127446-96-2), with molecular formula C22H28F3N3O3 and molecular weight 439.21 g/mol. IUPAC: ethyl 4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-7-(trifluoromethyl)quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate
Property Insights of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate
The XLogP value of 4.8793 indicates that Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-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 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate?
The CAS number of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate is 127446-96-2.
What is the molecular formula of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate?
The molecular formula of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate is C22H28F3N3O3.
What is the molecular weight of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate?
The molecular weight of Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate is 439.21 g/mol.
Where can I buy Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate?
You can request a quote for Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-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 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(1-(N,N-dipropylcarbamoyl)ethylamino)-7-trifluoromethylquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.