4-Bromo-1-ethoxyisoquinoline
TL;DR: 4-Bromo-1-ethoxyisoquinoline (CAS 59050-59-8) is a chemical compound with molecular formula C11H10BrNO and molecular weight 250.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-ethoxyisoquinoline
Also Known As: 4-Bromo-1-ethoxyisoquinoline, isoquinoline, 4-bromo-1-ethoxy-, 1-Ethoxy-4-bromoisoquinoline, 4-bromoisoquinolin-1-yl ethyl ether, J1.424.968K
| Molecular Formula | C11H10BrNO |
|---|---|
| Molecular Weight | 250.99 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.99458 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 59050-59-8 |
|---|---|
| SMILES | CCOC1=NC=C(C2=CC=CC=C21)Br |
| InChIKey | DDQQRHWQJIGGCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Bromo-1-ethoxyisoquinoline (CAS 59050-59-8), with molecular formula C11H10BrNO and molecular weight 250.99 g/mol. IUPAC: 4-bromo-1-ethoxyisoquinoline.
Chemical Property Profile of 4-Bromo-1-ethoxyisoquinoline
Property Insights of 4-Bromo-1-ethoxyisoquinoline
The XLogP value of 3.5 indicates that 4-Bromo-1-ethoxyisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 22.1 Ų, 4-Bromo-1-ethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-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 4-Bromo-1-ethoxyisoquinoline?
The CAS number of 4-Bromo-1-ethoxyisoquinoline is 59050-59-8.
What is the molecular formula of 4-Bromo-1-ethoxyisoquinoline?
The molecular formula of 4-Bromo-1-ethoxyisoquinoline is C11H10BrNO.
What is the molecular weight of 4-Bromo-1-ethoxyisoquinoline?
The molecular weight of 4-Bromo-1-ethoxyisoquinoline is 250.99 g/mol.
Where can I buy 4-Bromo-1-ethoxyisoquinoline?
You can request a quote for 4-Bromo-1-ethoxyisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Bromo-1-ethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-1-ethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.