2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile
TL;DR: 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile (CAS 304881-07-0) is a chemical compound with molecular formula C18H7F5N2O and molecular weight 362.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-isoquinolin-3-yl-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile
Also Known As: 2-(isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile, 2-isoquinolin-3-yl-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile
| Molecular Formula | C18H7F5N2O |
|---|---|
| Molecular Weight | 362.05 g/mol |
| LogP | 4.42038 |
| Topological Polar Surface Area | 53.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.04785 |
| Heavy Atoms | 26 |
| Complexity | 1061.862 |
Chemical Identifiers
| CAS Number | 304881-07-0 |
|---|---|
| SMILES | C1=CC=C2C=NC(=CC2=C1)C(C#N)C(=O)C3=C(C(=C(C(=C3F)F)F)F)F |
Product Overview
2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile (CAS 304881-07-0), with molecular formula C18H7F5N2O and molecular weight 362.05 g/mol. IUPAC: 2-isoquinolin-3-yl-3-oxo-3-(2,3,4,5,6-pentafluorophenyl)propanenitrile.
Chemical Property Profile of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile
Property Insights of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile
The XLogP value of 4.42038 indicates that 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.75 Ų, 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile has 0 hydrogen bond donor(s) and 3 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-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile?
The CAS number of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile is 304881-07-0.
What is the molecular formula of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile?
The molecular formula of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile is C18H7F5N2O.
What is the molecular weight of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile?
The molecular weight of 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile is 362.05 g/mol.
Where can I buy 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile?
You can request a quote for 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(Isoquinolin-3-yl)-3-oxo-3-(perfluorophenyl)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.