5-22-14-00370 (Beilstein Handbook Reference)
TL;DR: 5-22-14-00370 (Beilstein Handbook Reference) (CAS 75483-13-5) is a chemical compound with molecular formula C20H17F3N2O3 and molecular weight 390.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate
Also Known As: 5-22-14-00370 (Beilstein Handbook Reference), 3-Quinolinecarboxylic acid, 1,2-dihydro-1-methyl-2-oxo-4-((3-(trifluoromethyl)phenyl)amino)-, ethyl ester, Ethyl 1-methyl-2-oxo-4-((3-(trifluoromethyl)phenyl)amino)-1,2-dihydro-3-quinolinecarboxylate, ethyl 1-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate, ethyl 1-methyl-2-oxo-4-[[3-(trifluoromethyl)phenyl]amino]quinoline-3-carboxylate
| Molecular Formula | C20H17F3N2O3 |
|---|---|
| Molecular Weight | 390.12 g/mol |
| LogP | 4.4776 |
| Topological Polar Surface Area | 60.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 390.11914 |
| Heavy Atoms | 28 |
| Complexity | 1104.0267 |
Chemical Identifiers
| CAS Number | 75483-13-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC=CC=C2N(C1=O)C)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
5-22-14-00370 (Beilstein Handbook Reference) (CAS 75483-13-5), with molecular formula C20H17F3N2O3 and molecular weight 390.12 g/mol. IUPAC: ethyl 1-methyl-2-oxo-4-[3-(trifluoromethyl)anilino]quinoline-3-carboxylate.
Chemical Property Profile of 5-22-14-00370 (Beilstein Handbook Reference)
Property Insights of 5-22-14-00370 (Beilstein Handbook Reference)
The XLogP value of 4.4776 indicates that 5-22-14-00370 (Beilstein Handbook Reference) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-22-14-00370 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-22-14-00370 (Beilstein Handbook Reference) 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 5-22-14-00370 (Beilstein Handbook Reference)?
The CAS number of 5-22-14-00370 (Beilstein Handbook Reference) is 75483-13-5.
What is the molecular formula of 5-22-14-00370 (Beilstein Handbook Reference)?
The molecular formula of 5-22-14-00370 (Beilstein Handbook Reference) is C20H17F3N2O3.
What is the molecular weight of 5-22-14-00370 (Beilstein Handbook Reference)?
The molecular weight of 5-22-14-00370 (Beilstein Handbook Reference) is 390.12 g/mol.
Where can I buy 5-22-14-00370 (Beilstein Handbook Reference)?
You can request a quote for 5-22-14-00370 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-22-14-00370 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-22-14-00370 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.