4-Chloro-1(2H)-isoquinolone
TL;DR: 4-Chloro-1(2H)-isoquinolone (CAS 56241-09-9) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2H-isoquinolin-1-one
Also Known As: 4-Chloro-1(2H)-isoquinolone, 4-chloroisoquinolin-1(2H)-one, 4-chloro-2H-isoquinolin-1-one, 1(2H)-Isoquinolinone, 4-chloro-, 4-chloro-1-isoquinolinol
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.1815 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 475.15738 |
Chemical Identifiers
| CAS Number | 56241-09-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CNC2=O)Cl |
Product Overview
4-Chloro-1(2H)-isoquinolone (CAS 56241-09-9), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 4-chloro-2H-isoquinolin-1-one.
Chemical Property Profile of 4-Chloro-1(2H)-isoquinolone
Property Insights of 4-Chloro-1(2H)-isoquinolone
The XLogP value of 2.1815 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-1(2H)-isoquinolone. With a topological polar surface area (TPSA) of 32.86 Ų, 4-Chloro-1(2H)-isoquinolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-1(2H)-isoquinolone has 1 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 4-Chloro-1(2H)-isoquinolone?
The CAS number of 4-Chloro-1(2H)-isoquinolone is 56241-09-9.
What is the molecular formula of 4-Chloro-1(2H)-isoquinolone?
The molecular formula of 4-Chloro-1(2H)-isoquinolone is C9H6ClNO.
What is the molecular weight of 4-Chloro-1(2H)-isoquinolone?
The molecular weight of 4-Chloro-1(2H)-isoquinolone is 179.01 g/mol.
Where can I buy 4-Chloro-1(2H)-isoquinolone?
You can request a quote for 4-Chloro-1(2H)-isoquinolone 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(2H)-isoquinolone?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-1(2H)-isoquinolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.