4-Benzyl-1isoquinolinone
TL;DR: 4-Benzyl-1isoquinolinone (CAS 60813-39-0) is a chemical compound with molecular formula C16H13NO and molecular weight 235.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzyl-2H-isoquinolin-1-one
Also Known As: 4-benzyl-1isoquinolinone, 4-Benzylisoquinolin-1(2H)-one, 4-benzyl-2H-isoquinolin-1-one, 1(2H)-Isoquinolinone, 4-(phenylmethyl)-, RefChem:290300
| Molecular Formula | C16H13NO |
|---|---|
| Molecular Weight | 235.10 g/mol |
| LogP | 3.1189 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.09972 |
| Heavy Atoms | 18 |
| Complexity | 728.6731 |
Chemical Identifiers
| CAS Number | 60813-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CNC(=O)C3=CC=CC=C32 |
Product Overview
4-Benzyl-1isoquinolinone (CAS 60813-39-0), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 4-benzyl-2H-isoquinolin-1-one.
Chemical Property Profile of 4-Benzyl-1isoquinolinone
Property Insights of 4-Benzyl-1isoquinolinone
The XLogP value of 3.1189 indicates that 4-Benzyl-1isoquinolinone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, 4-Benzyl-1isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Benzyl-1isoquinolinone 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
Frequently Asked Questions
What is the CAS number of 4-Benzyl-1isoquinolinone?
The CAS number of 4-Benzyl-1isoquinolinone is 60813-39-0.
What is the molecular formula of 4-Benzyl-1isoquinolinone?
The molecular formula of 4-Benzyl-1isoquinolinone is C16H13NO.
What is the molecular weight of 4-Benzyl-1isoquinolinone?
The molecular weight of 4-Benzyl-1isoquinolinone is 235.10 g/mol.
Where can I buy 4-Benzyl-1isoquinolinone?
You can request a quote for 4-Benzyl-1isoquinolinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Benzyl-1isoquinolinone?
Yes, KEHONG BIO provides custom synthesis services for 4-Benzyl-1isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.