Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate
TL;DR: Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate (CAS 442564-44-5) is a chemical compound with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(5-chloro-2-methoxyanilino)quinoline-3,6-dicarboxylate
Also Known As: AE-641/41040181, diethyl 4-(5-chloro-2-methoxyanilino)-3,6-quinolinedicarboxylate, diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate, diethyl 4-[(5-chloro-2-methoxyphenyl)amino]quinoline-3,6-dicarboxylate, 3,6-DIETHYL 4-[(5-CHLORO-2-METHOXYPHENYL)AMINO]QUINOLINE-3,6-DICARBOXYLATE
| Molecular Formula | C22H21ClN2O5 |
|---|---|
| Molecular Weight | 428.11 g/mol |
| LogP | 4.9938 |
| Topological Polar Surface Area | 86.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.1139 |
| Heavy Atoms | 30 |
| Complexity | 1095.0732 |
Chemical Identifiers
| CAS Number | 442564-44-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=C(C=CC(=C3)Cl)OC |
Product Overview
Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate (CAS 442564-44-5), with molecular formula C22H21ClN2O5 and molecular weight 428.11 g/mol. IUPAC: diethyl 4-(5-chloro-2-methoxyanilino)quinoline-3,6-dicarboxylate.
Chemical Property Profile of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate
Property Insights of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate
The XLogP value of 4.9938 indicates that Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.75 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 7 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 Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate?
The CAS number of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate is 442564-44-5.
What is the molecular formula of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate?
The molecular formula of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate is C22H21ClN2O5.
What is the molecular weight of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate?
The molecular weight of Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate is 428.11 g/mol.
Where can I buy Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate?
You can request a quote for Diethyl 4-((5-chloro-2-methoxyphenyl)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 Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-((5-chloro-2-methoxyphenyl)amino)quinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.