N-(6-methoxyquinolyl)acetoethyl ester
TL;DR: N-(6-methoxyquinolyl)acetoethyl ester (CAS 18010-05-4) is a chemical compound with molecular formula C14H16NO3+ and molecular weight 246.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate
Also Known As: 6-Mqae, MQAE, N-(6-Methoxyquinolyl)acetoethyl ester, 1-(2-ethoxy-2-oxoethyl)-6-methoxyquinolinium, 6-methoxy-quinolyl acetoethyl ester
| Molecular Formula | C14H16NO3+ |
|---|---|
| Molecular Weight | 246.11 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 39.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 246.11302 |
| Heavy Atoms | 18 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 18010-05-4 |
|---|---|
| SMILES | CCOC(=O)C[N+]1=CC=CC2=C1C=CC(=C2)OC |
| InChIKey | HEYSKURSHFYAMR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(6-methoxyquinolyl)acetoethyl ester (CAS 18010-05-4), with molecular formula C14H16NO3+ and molecular weight 246.11 g/mol. IUPAC: ethyl 2-(6-methoxyquinolin-1-ium-1-yl)acetate.
Chemical Property Profile of N-(6-methoxyquinolyl)acetoethyl ester
Property Insights of N-(6-methoxyquinolyl)acetoethyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(6-methoxyquinolyl)acetoethyl ester. With a topological polar surface area (TPSA) of 39.4 Ų, N-(6-methoxyquinolyl)acetoethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(6-methoxyquinolyl)acetoethyl ester has 0 hydrogen bond donor(s) and 3 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 N-(6-methoxyquinolyl)acetoethyl ester?
The CAS number of N-(6-methoxyquinolyl)acetoethyl ester is 18010-05-4.
What is the molecular formula of N-(6-methoxyquinolyl)acetoethyl ester?
The molecular formula of N-(6-methoxyquinolyl)acetoethyl ester is C14H16NO3+.
What is the molecular weight of N-(6-methoxyquinolyl)acetoethyl ester?
The molecular weight of N-(6-methoxyquinolyl)acetoethyl ester is 246.11 g/mol.
Where can I buy N-(6-methoxyquinolyl)acetoethyl ester?
You can request a quote for N-(6-methoxyquinolyl)acetoethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(6-methoxyquinolyl)acetoethyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(6-methoxyquinolyl)acetoethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.