3-Ethoxy-4-chloroisoquinoline
TL;DR: 3-Ethoxy-4-chloroisoquinoline (CAS 66729-01-9) is a chemical compound with molecular formula C11H10ClNO and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-ethoxyisoquinoline
Also Known As: 3-ethoxy-4-chloroisoquinoline, 4-chloro-3-ethoxyisoquinoline, isoquinoline, 4-chloro-3-ethoxy-, InChI=1/C11H10ClNO/c1-2-14-11-10(12)9-6-4-3-5-8(9)7-13-11/h3-7H,2H2,1H
| Molecular Formula | C11H10ClNO |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04509 |
| Heavy Atoms | 14 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 66729-01-9 |
|---|---|
| SMILES | CCOC1=C(C2=CC=CC=C2C=N1)Cl |
| InChIKey | VZXWTCVKKNGMMC-UHFFFAOYSA-N |
Product Overview
3-Ethoxy-4-chloroisoquinoline (CAS 66729-01-9), with molecular formula C11H10ClNO and molecular weight 207.05 g/mol. IUPAC: 4-chloro-3-ethoxyisoquinoline.
Chemical Property Profile of 3-Ethoxy-4-chloroisoquinoline
Property Insights of 3-Ethoxy-4-chloroisoquinoline
The XLogP value of 3.4 indicates that 3-Ethoxy-4-chloroisoquinoline 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-Ethoxy-4-chloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethoxy-4-chloroisoquinoline 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-Ethoxy-4-chloroisoquinoline?
The CAS number of 3-Ethoxy-4-chloroisoquinoline is 66729-01-9.
What is the molecular formula of 3-Ethoxy-4-chloroisoquinoline?
The molecular formula of 3-Ethoxy-4-chloroisoquinoline is C11H10ClNO.
What is the molecular weight of 3-Ethoxy-4-chloroisoquinoline?
The molecular weight of 3-Ethoxy-4-chloroisoquinoline is 207.05 g/mol.
Where can I buy 3-Ethoxy-4-chloroisoquinoline?
You can request a quote for 3-Ethoxy-4-chloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethoxy-4-chloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethoxy-4-chloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.