Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate
TL;DR: Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate (CAS 898656-52-5) is a chemical compound with molecular formula C19H20F3N3O3 and molecular weight 395.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate
Also Known As: Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate, VU0611929-1, F3349-0004, ethyl 4-(4-acetylpiperazinyl)-7-(trifluoromethyl)quinoline-3-carboxylate
| Molecular Formula | C19H20F3N3O3 |
|---|---|
| Molecular Weight | 395.15 g/mol |
| LogP | 3.0988 |
| Topological Polar Surface Area | 62.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 395.1457 |
| Heavy Atoms | 28 |
| Complexity | 906.4125 |
Chemical Identifiers
| CAS Number | 898656-52-5 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=C(C=CC2=C1N3CCN(CC3)C(=O)C)C(F)(F)F |
Product Overview
Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate (CAS 898656-52-5), with molecular formula C19H20F3N3O3 and molecular weight 395.15 g/mol. IUPAC: ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate
Property Insights of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate
The XLogP value of 3.0988 indicates that Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.74 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate has 0 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-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate?
The CAS number of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate is 898656-52-5.
What is the molecular formula of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate?
The molecular formula of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate is C19H20F3N3O3.
What is the molecular weight of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate?
The molecular weight of Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate is 395.15 g/mol.
Where can I buy Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate?
You can request a quote for Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-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-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(4-acetylpiperazin-1-yl)-7-(trifluoromethyl)quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.