1-Isoquinolinyl phenyl ketone
TL;DR: 1-Isoquinolinyl phenyl ketone (CAS 16662-86-5) is a chemical compound with molecular formula C16H11NO and molecular weight 233.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-1-yl(phenyl)methanone
Also Known As: isoquinolin-1-yl(phenyl)methanone, 1-BENZOYLISOQUINOLINE, 1-Isoquinolinyl phenyl ketone, benzeylisoquinoline, isoquinolyl phenyl ketone
| Molecular Formula | C16H11NO |
|---|---|
| Molecular Weight | 233.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.08406 |
| Heavy Atoms | 18 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 16662-86-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=NC=CC3=CC=CC=C32 |
| InChIKey | MDWCIKACMBMJFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Isoquinolinyl phenyl ketone (CAS 16662-86-5), with molecular formula C16H11NO and molecular weight 233.08 g/mol. IUPAC: isoquinolin-1-yl(phenyl)methanone.
Chemical Property Profile of 1-Isoquinolinyl phenyl ketone
Property Insights of 1-Isoquinolinyl phenyl ketone
The XLogP value of 3.8 indicates that 1-Isoquinolinyl phenyl ketone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-Isoquinolinyl phenyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isoquinolinyl phenyl ketone 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 1-Isoquinolinyl phenyl ketone?
The CAS number of 1-Isoquinolinyl phenyl ketone is 16662-86-5.
What is the molecular formula of 1-Isoquinolinyl phenyl ketone?
The molecular formula of 1-Isoquinolinyl phenyl ketone is C16H11NO.
What is the molecular weight of 1-Isoquinolinyl phenyl ketone?
The molecular weight of 1-Isoquinolinyl phenyl ketone is 233.08 g/mol.
Where can I buy 1-Isoquinolinyl phenyl ketone?
You can request a quote for 1-Isoquinolinyl phenyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isoquinolinyl phenyl ketone?
Yes, KEHONG BIO provides custom synthesis services for 1-Isoquinolinyl phenyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.