3-Bromo-1-ethoxyisoquinoline
TL;DR: 3-Bromo-1-ethoxyisoquinoline (CAS 59050-55-4) 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.
3-bromo-1-ethoxyisoquinoline
Also Known As: 3-bromo-1-ethoxyisoquinoline, 3-bromo-1-ethoxy-isoquinoline, isoquinoline, 3-bromo-1-ethoxy-, 3-bromo-1-isoquinolinyl ethyl ether, InChI=1/C11H10BrNO/c1-2-14-11-9-6-4-3-5-8(9)7-10(12)13-11/h3-7H,2H2,1H
| Molecular Formula | C11H10BrNO |
|---|---|
| Molecular Weight | 250.99 g/mol |
| LogP | 3.8 |
| 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 | 59050-55-4 |
|---|---|
| SMILES | CCOC1=NC(=CC2=CC=CC=C21)Br |
| InChIKey | LYWYFDNSPCRDND-UHFFFAOYSA-N |
Product Overview
3-Bromo-1-ethoxyisoquinoline (CAS 59050-55-4), with molecular formula C11H10BrNO and molecular weight 250.99 g/mol. IUPAC: 3-bromo-1-ethoxyisoquinoline.
Chemical Property Profile of 3-Bromo-1-ethoxyisoquinoline
Property Insights of 3-Bromo-1-ethoxyisoquinoline
The XLogP value of 3.8 indicates that 3-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, 3-Bromo-1-ethoxyisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Bromo-1-ethoxyisoquinoline?
The CAS number of 3-Bromo-1-ethoxyisoquinoline is 59050-55-4.
What is the molecular formula of 3-Bromo-1-ethoxyisoquinoline?
The molecular formula of 3-Bromo-1-ethoxyisoquinoline is C11H10BrNO.
What is the molecular weight of 3-Bromo-1-ethoxyisoquinoline?
The molecular weight of 3-Bromo-1-ethoxyisoquinoline is 250.99 g/mol.
Where can I buy 3-Bromo-1-ethoxyisoquinoline?
You can request a quote for 3-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 3-Bromo-1-ethoxyisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Bromo-1-ethoxyisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.