2-Phenyl-1,4-dihydroisoquinolin-3-one
TL;DR: 2-Phenyl-1,4-dihydroisoquinolin-3-one (CAS 6772-68-5) is a chemical compound with molecular formula C15H13NO and molecular weight 223.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-1,4-dihydroisoquinolin-3-one
Also Known As: 2-phenyl-1,4-dihydroisoquinolin-3-one, 2-phenyl-1,2-dihydroisoquinolin-3(4H)-one
| Molecular Formula | C15H13NO |
|---|---|
| Molecular Weight | 223.10 g/mol |
| LogP | 2.7759 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 223.09972 |
| Heavy Atoms | 17 |
| Complexity | 547.8581 |
Chemical Identifiers
| CAS Number | 6772-68-5 |
|---|---|
| SMILES | C1C2=CC=CC=C2CN(C1=O)C3=CC=CC=C3 |
Product Overview
2-Phenyl-1,4-dihydroisoquinolin-3-one (CAS 6772-68-5), with molecular formula C15H13NO and molecular weight 223.10 g/mol. IUPAC: 2-phenyl-1,4-dihydroisoquinolin-3-one.
Chemical Property Profile of 2-Phenyl-1,4-dihydroisoquinolin-3-one
Property Insights of 2-Phenyl-1,4-dihydroisoquinolin-3-one
The XLogP value of 2.7759 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-1,4-dihydroisoquinolin-3-one. With a topological polar surface area (TPSA) of 20.31 Ų, 2-Phenyl-1,4-dihydroisoquinolin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-1,4-dihydroisoquinolin-3-one 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 2-Phenyl-1,4-dihydroisoquinolin-3-one?
The CAS number of 2-Phenyl-1,4-dihydroisoquinolin-3-one is 6772-68-5.
What is the molecular formula of 2-Phenyl-1,4-dihydroisoquinolin-3-one?
The molecular formula of 2-Phenyl-1,4-dihydroisoquinolin-3-one is C15H13NO.
What is the molecular weight of 2-Phenyl-1,4-dihydroisoquinolin-3-one?
The molecular weight of 2-Phenyl-1,4-dihydroisoquinolin-3-one is 223.10 g/mol.
Where can I buy 2-Phenyl-1,4-dihydroisoquinolin-3-one?
You can request a quote for 2-Phenyl-1,4-dihydroisoquinolin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-1,4-dihydroisoquinolin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-1,4-dihydroisoquinolin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.