3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate
TL;DR: 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate (CAS 459417-22-2) is a chemical compound with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 6-O-methyl 4-(3-chloro-4-methylanilino)quinoline-3,6-dicarboxylate
Also Known As: 3-ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate, 3-ethyl 6-methyl 4-[(3-chloro-4-methylphenyl)amino]quinoline-3,6-dicarboxylate, ethyl 4-[(3-chloro-4-methylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carbox ylate
| Molecular Formula | C21H19ClN2O4 |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 4.90352 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 398.10333 |
| Heavy Atoms | 28 |
| Complexity | 1065.7001 |
Chemical Identifiers
| CAS Number | 459417-22-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC(=C(C=C3)C)Cl)C(=O)OC |
Product Overview
3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate (CAS 459417-22-2), with molecular formula C21H19ClN2O4 and molecular weight 398.10 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 4-(3-chloro-4-methylanilino)quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate
Property Insights of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate
The XLogP value of 4.90352 indicates that 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 6 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 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate?
The CAS number of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate is 459417-22-2.
What is the molecular formula of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate?
The molecular formula of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate is C21H19ClN2O4.
What is the molecular weight of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate?
The molecular weight of 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate is 398.10 g/mol.
Where can I buy 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate?
You can request a quote for 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl 6-methyl 4-((3-chloro-4-methylphenyl)amino)quinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.