4-Chloro-1-isoquinolinyl phenyl ether
TL;DR: 4-Chloro-1-isoquinolinyl phenyl ether (CAS 69716-17-2) is a chemical compound with molecular formula C15H10ClNO and molecular weight 255.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-1-phenoxyisoquinoline
Also Known As: 4-Chloro-1-phenoxyisoquinoline, 4-Chloro-1-isoquinolinyl phenyl ether, 4-chloro-1-phenoxy-isoquinoline, 1-Phenoxy-4-chloroisoquinoline, O(c1ccccc1)c2ncc(Cl)c3ccccc23
| Molecular Formula | C15H10ClNO |
|---|---|
| Molecular Weight | 255.05 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 22.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.04509 |
| Heavy Atoms | 18 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 69716-17-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=NC=C(C3=CC=CC=C32)Cl |
| InChIKey | KVYWDUOQRAUGBV-UHFFFAOYSA-N |
Product Overview
4-Chloro-1-isoquinolinyl phenyl ether (CAS 69716-17-2), with molecular formula C15H10ClNO and molecular weight 255.05 g/mol. IUPAC: 4-chloro-1-phenoxyisoquinoline.
Chemical Property Profile of 4-Chloro-1-isoquinolinyl phenyl ether
Property Insights of 4-Chloro-1-isoquinolinyl phenyl ether
The XLogP value of 4.6 indicates that 4-Chloro-1-isoquinolinyl phenyl ether 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-Chloro-1-isoquinolinyl phenyl ether exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1-isoquinolinyl phenyl ether 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-Chloro-1-isoquinolinyl phenyl ether?
The CAS number of 4-Chloro-1-isoquinolinyl phenyl ether is 69716-17-2.
What is the molecular formula of 4-Chloro-1-isoquinolinyl phenyl ether?
The molecular formula of 4-Chloro-1-isoquinolinyl phenyl ether is C15H10ClNO.
What is the molecular weight of 4-Chloro-1-isoquinolinyl phenyl ether?
The molecular weight of 4-Chloro-1-isoquinolinyl phenyl ether is 255.05 g/mol.
Where can I buy 4-Chloro-1-isoquinolinyl phenyl ether?
You can request a quote for 4-Chloro-1-isoquinolinyl phenyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-1-isoquinolinyl phenyl ether?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1-isoquinolinyl phenyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.