1,4-dihydro-2H-isoquinolin-3-one
TL;DR: 1,4-dihydro-2H-isoquinolin-3-one (CAS 24331-94-0) is a chemical compound with molecular formula C9H9NO and molecular weight 147.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dihydro-1H-isoquinolin-3-one
Also Known As: 1,4-Dihydro-3(2H)-isoquinolinone, 1,4-dihydroisoquinolin-3(2H)-one, 1,4-Dihydro-2H-isoquinolin-3-one, 2,4-dihydro-1H-isoquinolin-3-one, 1,2,3,4-tetrahydroisoquinolin-3-one
| Molecular Formula | C9H9NO |
|---|---|
| Molecular Weight | 147.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 147.06842 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 24331-94-0 |
|---|---|
| SMILES | C1C2=CC=CC=C2CNC1=O |
| InChIKey | MGZGPQCRWVOGFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-dihydro-2H-isoquinolin-3-one (CAS 24331-94-0), with molecular formula C9H9NO and molecular weight 147.07 g/mol. IUPAC: 2,4-dihydro-1H-isoquinolin-3-one.
Chemical Property Profile of 1,4-dihydro-2H-isoquinolin-3-one
Property Insights of 1,4-dihydro-2H-isoquinolin-3-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-dihydro-2H-isoquinolin-3-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1,4-dihydro-2H-isoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-dihydro-2H-isoquinolin-3-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 1,4-dihydro-2H-isoquinolin-3-one?
The CAS number of 1,4-dihydro-2H-isoquinolin-3-one is 24331-94-0.
What is the molecular formula of 1,4-dihydro-2H-isoquinolin-3-one?
The molecular formula of 1,4-dihydro-2H-isoquinolin-3-one is C9H9NO.
What is the molecular weight of 1,4-dihydro-2H-isoquinolin-3-one?
The molecular weight of 1,4-dihydro-2H-isoquinolin-3-one is 147.07 g/mol.
Where can I buy 1,4-dihydro-2H-isoquinolin-3-one?
You can request a quote for 1,4-dihydro-2H-isoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-dihydro-2H-isoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 1,4-dihydro-2H-isoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.