1-Ethoxyisoquinoline
TL;DR: 1-Ethoxyisoquinoline (CAS 66728-96-9) is a chemical compound with molecular formula C11H11NO and molecular weight 173.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxyisoquinoline
Also Known As: 1-ethoxyisoquinoline, isoquinoline, 1-ethoxy-, InChI=1/C11H11NO/c1-2-13-11-10-6-4-3-5-9(10)7-8-12-11/h3-8H,2H2,1H
| Molecular Formula | C11H11NO |
|---|---|
| Molecular Weight | 173.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 173.08406 |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
Chemical Identifiers
| CAS Number | 66728-96-9 |
|---|---|
| SMILES | CCOC1=NC=CC2=CC=CC=C21 |
| InChIKey | INMIORMLNSPICM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethoxyisoquinoline (CAS 66728-96-9), with molecular formula C11H11NO and molecular weight 173.08 g/mol. IUPAC: 1-ethoxyisoquinoline.
Chemical Property Profile of 1-Ethoxyisoquinoline
Property Insights of 1-Ethoxyisoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethoxyisoquinoline. With a topological polar surface area (TPSA) of 22.1 Ų, 1-Ethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethoxyisoquinoline has 0 hydrogen bond donor(s) and 2 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 1-Ethoxyisoquinoline?
The CAS number of 1-Ethoxyisoquinoline is 66728-96-9.
What is the molecular formula of 1-Ethoxyisoquinoline?
The molecular formula of 1-Ethoxyisoquinoline is C11H11NO.
What is the molecular weight of 1-Ethoxyisoquinoline?
The molecular weight of 1-Ethoxyisoquinoline is 173.08 g/mol.
Where can I buy 1-Ethoxyisoquinoline?
You can request a quote for 1-Ethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.