1-Ethylisoquinoline
TL;DR: 1-Ethylisoquinoline (CAS 7661-60-1) is a chemical compound with molecular formula C11H11N and molecular weight 157.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylisoquinoline
Also Known As: 1-Ethylisoquinoline, Isoquinoline, 1-ethyl-, Isoquinoline,1-ethyl-, RefChem:230400
| Molecular Formula | C11H11N |
|---|---|
| Molecular Weight | 157.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.08914 |
| Heavy Atoms | 12 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 7661-60-1 |
|---|---|
| SMILES | CCC1=NC=CC2=CC=CC=C21 |
| InChIKey | UBDYMAZEEMMDCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethylisoquinoline (CAS 7661-60-1), with molecular formula C11H11N and molecular weight 157.09 g/mol. IUPAC: 1-ethylisoquinoline.
Chemical Property Profile of 1-Ethylisoquinoline
Property Insights of 1-Ethylisoquinoline
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethylisoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, 1-Ethylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethylisoquinoline has 0 hydrogen bond donor(s) and 1 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-Ethylisoquinoline?
The CAS number of 1-Ethylisoquinoline is 7661-60-1.
What is the molecular formula of 1-Ethylisoquinoline?
The molecular formula of 1-Ethylisoquinoline is C11H11N.
What is the molecular weight of 1-Ethylisoquinoline?
The molecular weight of 1-Ethylisoquinoline is 157.09 g/mol.
Where can I buy 1-Ethylisoquinoline?
You can request a quote for 1-Ethylisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethylisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.