Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
TL;DR: Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate (CAS 459417-32-4) is a chemical compound with molecular formula C22H21BrN2O4 and molecular weight 456.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
Also Known As: AE-641/41508838, diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate, diethyl 4-(3-bromo-4-methylphenylamino)quinoline-3,6-dicarboxylate, diethyl 4-((3-bromo-4-methylphenyl)amino)quinoline-3,6-dicarboxylate, diethyl 4-[(3-bromo-4-methylphenyl)amino]quinoline-3,6-dicarboxylate
| Molecular Formula | C22H21BrN2O4 |
|---|---|
| Molecular Weight | 456.07 g/mol |
| LogP | 5.40272 |
| Topological Polar Surface Area | 77.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.06848 |
| Heavy Atoms | 29 |
| Complexity | 1076.5905 |
Chemical Identifiers
| CAS Number | 459417-32-4 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=C(C=C3)C)Br |
Product Overview
Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate (CAS 459417-32-4), with molecular formula C22H21BrN2O4 and molecular weight 456.07 g/mol. IUPAC: diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate.
Chemical Property Profile of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
Property Insights of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate
The XLogP value of 5.40272 indicates that Diethyl 4-(3-bromo-4-methylanilino)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 Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate?
The CAS number of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate is 459417-32-4.
What is the molecular formula of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate?
The molecular formula of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate is C22H21BrN2O4.
What is the molecular weight of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate?
The molecular weight of Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate is 456.07 g/mol.
Where can I buy Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate?
You can request a quote for Diethyl 4-(3-bromo-4-methylanilino)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-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-(3-bromo-4-methylanilino)quinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.