3-Chloroisoquinoline
TL;DR: 3-Chloroisoquinoline (CAS 19493-45-9) is a chemical compound with molecular formula C9H6ClN and molecular weight 163.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloroisoquinoline
Also Known As: 3-chloroisoquinoline, isoquinoline, 3-chloro-, 3-chloro-isoquinoline, JSPY-st000284, 19493-45-9 3-chloroisoquinoline
| Molecular Formula | C9H6ClN |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.01888 |
| Heavy Atoms | 11 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 19493-45-9 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)Cl |
| InChIKey | CPCMFADZMOYDSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroisoquinoline (CAS 19493-45-9), with molecular formula C9H6ClN and molecular weight 163.02 g/mol. IUPAC: 3-chloroisoquinoline.
Chemical Property Profile of 3-Chloroisoquinoline
Property Insights of 3-Chloroisoquinoline
The XLogP value of 3.1 indicates that 3-Chloroisoquinoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 3-Chloroisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroisoquinoline 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 3-Chloroisoquinoline?
The CAS number of 3-Chloroisoquinoline is 19493-45-9.
What is the molecular formula of 3-Chloroisoquinoline?
The molecular formula of 3-Chloroisoquinoline is C9H6ClN.
What is the molecular weight of 3-Chloroisoquinoline?
The molecular weight of 3-Chloroisoquinoline is 163.02 g/mol.
Where can I buy 3-Chloroisoquinoline?
You can request a quote for 3-Chloroisoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroisoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.