Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone
TL;DR: Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone (CAS 120332-66-3) is a chemical compound with molecular formula C17H10F3NO and molecular weight 301.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-1-yl-[3-(trifluoromethyl)phenyl]methanone
Also Known As: Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone, 1-isoquinolyl[3-(trifluoromethyl) phenyl]methanone, isoquinolin-1-yl-[3-(trifluoromethyl)phenyl]methanone
| Molecular Formula | C17H10F3NO |
|---|---|
| Molecular Weight | 301.07 g/mol |
| LogP | 4.4846 |
| Topological Polar Surface Area | 29.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.07144 |
| Heavy Atoms | 22 |
| Complexity | 850.39703 |
Chemical Identifiers
| CAS Number | 120332-66-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CN=C2C(=O)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone (CAS 120332-66-3), with molecular formula C17H10F3NO and molecular weight 301.07 g/mol. IUPAC: isoquinolin-1-yl-[3-(trifluoromethyl)phenyl]methanone.
Chemical Property Profile of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone
Property Insights of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone
The XLogP value of 4.4846 indicates that Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.96 Ų, Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone has 0 hydrogen bond donor(s) and 2 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 Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone?
The CAS number of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone is 120332-66-3.
What is the molecular formula of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone?
The molecular formula of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone is C17H10F3NO.
What is the molecular weight of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone?
The molecular weight of Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone is 301.07 g/mol.
Where can I buy Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone?
You can request a quote for Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(3-(trifluoromethyl)phenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.