![3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid structure](/static/products/797/797814-99-4.png)
3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
TL;DR: 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid (CAS 797814-99-4) is a chemical compound with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]benzoic acid
Also Known As: BAS 05207100, 3-{[3-(ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolinyl]amino}benzoic acid hydrochloride, 3-[(3-carbethoxy-6-carbomethoxy-4-quinolyl)amino]benzoic acid;hydrochloride, 3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]benzoic acid, 3-{[3-(ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
| Molecular Formula | C21H18N2O6 |
|---|---|
| Molecular Weight | 394.12 g/mol |
| LogP | 3.6399 |
| Topological Polar Surface Area | 114.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 394.1165 |
| Heavy Atoms | 29 |
| Complexity | 1109.5217 |
Chemical Identifiers
| CAS Number | 797814-99-4 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C2C=CC(=CC2=C1NC3=CC=CC(=C3)C(=O)O)C(=O)OC |
Product Overview
3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid (CAS 797814-99-4), with molecular formula C21H18N2O6 and molecular weight 394.12 g/mol. IUPAC: 3-[(3-ethoxycarbonyl-6-methoxycarbonylquinolin-4-yl)amino]benzoic acid.
Chemical Property Profile of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
Property Insights of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid
The XLogP value of 3.6399 indicates that 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid. Following Lipinski's Rule of Five, 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid has 2 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 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid?
The CAS number of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid is 797814-99-4.
What is the molecular formula of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid?
The molecular formula of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid is C21H18N2O6.
What is the molecular weight of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid?
The molecular weight of 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid is 394.12 g/mol.
Where can I buy 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid?
You can request a quote for 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[3-(Ethoxycarbonyl)-6-(methoxycarbonyl)-4-quinolyl]amino}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.