Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate
TL;DR: Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate (CAS 385390-51-2) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(3-nitroanilino)quinoline-3,6-dicarboxylate
Also Known As: diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate, diethyl 4-(3-nitroanilino)quinoline-3,6-dicarboxylate, AS-871/41110658, diethyl 4-((3-nitrophenyl)amino)quinoline-3,6-dicarboxylate, diethyl 4-[(3-nitrophenyl)amino]quinoline-3,6-dicarboxylate
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 4.24 |
| Topological Polar Surface Area | 120.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 1123.6748 |
Chemical Identifiers
| CAS Number | 385390-51-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate (CAS 385390-51-2), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: diethyl 4-(3-nitroanilino)quinoline-3,6-dicarboxylate.
Chemical Property Profile of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate
Property Insights of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate
The XLogP value of 4.24 indicates that Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.66 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate has 1 hydrogen bond donor(s) and 8 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-{3-nitroanilino}-3,6-quinolinedicarboxylate?
The CAS number of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate is 385390-51-2.
What is the molecular formula of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate?
The molecular formula of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate is C21H19N3O6.
What is the molecular weight of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate?
The molecular weight of Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate is 409.13 g/mol.
Where can I buy Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate?
You can request a quote for Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate 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-nitroanilino}-3,6-quinolinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-{3-nitroanilino}-3,6-quinolinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.