4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride
TL;DR: 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride (CAS 1093959-45-5) is a chemical compound with molecular formula C21H21ClN2O5 and molecular weight 416.1139 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid;hydrochloride
Also Known As: 4-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid hydrochloride, 4-[(6-ethoxy-3-ethoxycarbonylquinolin-4-yl)amino]benzoic acid;hydrochloride, 4-((6-ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride, 4-[(6-ethoxy-3-ethoxycarbonyl-quinolin-4-yl)amino]benzoic Acid Hydrochloride
Technical Specifications
| Molecular Formula | C21H21ClN2O5 |
| Molecular Weight | 416.1139 g/mol |
| XLogP | 4.6738 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.1139 Da |
| Heavy Atoms | 29 |
| Complexity | 535.0 |
| SMILES | CCOC1=CC2=C(C(=CN=C2C=C1)C(=O)OCC)NC3=CC=C(C=C3)C(=O)O.Cl |
| InChIKey | NYCLBNOJULZKSJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride
Property Insights of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride
The XLogP value of 4.6738 indicates that 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride. Following Lipinski's Rule of Five, 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride?
The CAS number of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride is 1093959-45-5.
What is the molecular formula of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride?
The molecular formula of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride is C21H21ClN2O5.
What is the molecular weight of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride?
The molecular weight of 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride is 416.1139 g/mol.
Where can I buy 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride?
You can request a quote for 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for 4-((6-Ethoxy-3-(ethoxycarbonyl)quinolin-4-yl)amino)benzoic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.