3-Chloro-1,2-dihydroisoquinolin-1-one
TL;DR: 3-Chloro-1,2-dihydroisoquinolin-1-one (CAS 7742-74-7) 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.
3-chloro-2H-isoquinolin-1-one
Also Known As: 3-chloroisoquinolin-1(2H)-one, 3-chloro-2H-isoquinolin-1-one, chloroisoquinolinone, 3-chloro-1,2-dihydroisoquinolin-1-one, 1(2H)-Isoquinolinone, 3-chloro-
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 237.0 |
Chemical Identifiers
| CAS Number | 7742-74-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(NC2=O)Cl |
| InChIKey | MIUBFDSCKFOYCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-1,2-dihydroisoquinolin-1-one (CAS 7742-74-7), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 3-chloro-2H-isoquinolin-1-one.
Chemical Property Profile of 3-Chloro-1,2-dihydroisoquinolin-1-one
Property Insights of 3-Chloro-1,2-dihydroisoquinolin-1-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-1,2-dihydroisoquinolin-1-one. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Chloro-1,2-dihydroisoquinolin-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-1,2-dihydroisoquinolin-1-one 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 3-Chloro-1,2-dihydroisoquinolin-1-one?
The CAS number of 3-Chloro-1,2-dihydroisoquinolin-1-one is 7742-74-7.
What is the molecular formula of 3-Chloro-1,2-dihydroisoquinolin-1-one?
The molecular formula of 3-Chloro-1,2-dihydroisoquinolin-1-one is C9H6ClNO.
What is the molecular weight of 3-Chloro-1,2-dihydroisoquinolin-1-one?
The molecular weight of 3-Chloro-1,2-dihydroisoquinolin-1-one is 179.01 g/mol.
Where can I buy 3-Chloro-1,2-dihydroisoquinolin-1-one?
You can request a quote for 3-Chloro-1,2-dihydroisoquinolin-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-1,2-dihydroisoquinolin-1-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-1,2-dihydroisoquinolin-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.