1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
TL;DR: 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one (CAS 17507-05-0) is a chemical compound with molecular formula C15H13NO and molecular weight 223.09972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2,4-dihydro-1H-isoquinolin-3-one
Also Known As: 1-Phenyl-1,2-dihydroisoquinolin-3(4H)-one, Maybridge1_001962, 1,4-Dihydro-1-phenyl-3(2H)-isoquinolinone, 1-phenyl-2,4-dihydro-1H-isoquinolin-3-one, 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H13NO |
| Molecular Weight | 223.09972 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.09972 Da |
| Heavy Atoms | 17 |
| Complexity | 283.0 |
| SMILES | C1C2=CC=CC=C2C(NC1=O)C3=CC=CC=C3 |
| InChIKey | IAOCKKZVKNCZPK-UHFFFAOYSA-N |
Chemical Property Profile of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
Property Insights of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one. With a topological polar surface area (TPSA) of 29.1 Ų, 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-1,4-dihydroisoquinolin-3(2H)-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
What is the CAS number of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The CAS number of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is 17507-05-0.
What is the molecular formula of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular formula of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is C15H13NO.
What is the molecular weight of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
The molecular weight of 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one is 223.09972 g/mol.
Where can I buy 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
You can request a quote for 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one?
Yes, CoreyChem provides custom synthesis services for 1-phenyl-1,4-dihydroisoquinolin-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.