![Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate structure](/static/products/459/459418-88-3.png)
Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate
TL;DR: Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate (CAS 459418-88-3) is a chemical compound with molecular formula C22H22N2O4 and molecular weight 378.16 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-(3,5-dimethylanilino)quinoline-3,6-dicarboxylate
Also Known As: AP-906/41078708, 3-ethyl 6-methyl 4-((3,5-dimethylphenyl)amino)quinoline-3,6-dicarboxylate, 3-ethyl 6-methyl 4-(3,5-dimethylanilino)-3,6-quinolinedicarboxylate, 3-ethyl 6-methyl 4-[(3,5-dimethylphenyl)amino]quinoline-3,6-dicarboxylate, ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate
| Molecular Formula | C22H22N2O4 |
|---|---|
| Molecular Weight | 378.16 g/mol |
| LogP | 4.55854 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.15796 |
| Heavy Atoms | 28 |
| Complexity | 1039.5813 |
Chemical Identifiers
| CAS Number | 459418-88-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC(=CC(=C3)C)C)C(=O)OC |
Product Overview
Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate (CAS 459418-88-3), with molecular formula C22H22N2O4 and molecular weight 378.16 g/mol. IUPAC: 3-O-ethyl 6-O-methyl 4-(3,5-dimethylanilino)quinoline-3,6-dicarboxylate.
Chemical Property Profile of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate
Property Insights of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate
The XLogP value of 4.55854 indicates that Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate 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 Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate 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 Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate?
The CAS number of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate is 459418-88-3.
What is the molecular formula of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate?
The molecular formula of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate is C22H22N2O4.
What is the molecular weight of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate?
The molecular weight of Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate is 378.16 g/mol.
Where can I buy Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate?
You can request a quote for Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)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-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(3,5-dimethylphenyl)amino]-6-(methoxycarbonyl)quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.