3-Chloroquinoline
TL;DR: 3-Chloroquinoline (CAS 612-59-9) 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-chloroquinoline
Also Known As: 3-Chloroquinoline, Quinoline, 3-chloro-, 3-Chloro-quinoline, ACN-S004738, RefChem:93541
| Molecular Formula | C9H6ClN |
|---|---|
| Molecular Weight | 163.02 g/mol |
| LogP | 3.2 |
| 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 | 612-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)Cl |
| InChIKey | FLORQCMDMHHIHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloroquinoline (CAS 612-59-9), with molecular formula C9H6ClN and molecular weight 163.02 g/mol. IUPAC: 3-chloroquinoline.
Chemical Property Profile of 3-Chloroquinoline
Property Insights of 3-Chloroquinoline
The XLogP value of 3.2 indicates that 3-Chloroquinoline 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-Chloroquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloroquinoline 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-Chloroquinoline?
The CAS number of 3-Chloroquinoline is 612-59-9.
What is the molecular formula of 3-Chloroquinoline?
The molecular formula of 3-Chloroquinoline is C9H6ClN.
What is the molecular weight of 3-Chloroquinoline?
The molecular weight of 3-Chloroquinoline is 163.02 g/mol.
Where can I buy 3-Chloroquinoline?
You can request a quote for 3-Chloroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.