![Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate structure](/static/products/433/433957-14-3.png)
Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate
TL;DR: Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate (CAS 433957-14-3) is a chemical compound with molecular formula C18H14BrN3O4 and molecular weight 415.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-4-(3-nitroanilino)quinoline-3-carboxylate
Also Known As: AB01286850-01, AS-871/41303192, ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate, ethyl 6-bromo-4-{3-nitroanilino}-3-quinolinecarboxylate, ethyl 6-bromo-4-((3-nitrophenyl)amino)quinoline-3-carboxylate
| Molecular Formula | C18H14BrN3O4 |
|---|---|
| Molecular Weight | 415.02 g/mol |
| LogP | 4.8258 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.01678 |
| Heavy Atoms | 26 |
| Complexity | 1006.8928 |
Chemical Identifiers
| CAS Number | 433957-14-3 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC(=CC=C3)[N+](=O)[O-])Br |
Product Overview
Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate (CAS 433957-14-3), with molecular formula C18H14BrN3O4 and molecular weight 415.02 g/mol. IUPAC: ethyl 6-bromo-4-(3-nitroanilino)quinoline-3-carboxylate.
Chemical Property Profile of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate
Property Insights of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate
The XLogP value of 4.8258 indicates that Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 6-bromo-4-[(3-nitrophenyl)amino]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 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate?
The CAS number of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate is 433957-14-3.
What is the molecular formula of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate?
The molecular formula of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate is C18H14BrN3O4.
What is the molecular weight of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate?
The molecular weight of Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate is 415.02 g/mol.
Where can I buy Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate?
You can request a quote for Ethyl 6-bromo-4-[(3-nitrophenyl)amino]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 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-bromo-4-[(3-nitrophenyl)amino]quinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.