Benzylisoquinolone
TL;DR: Benzylisoquinolone (CAS 787-46-2) 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.
3-benzyl-2H-isoquinolin-1-one
Also Known As: benzylisoquinolone, 3-benzyl-2H-isoquinolin-1-one, 3-Benzylisoquinolin-1(2H)-one, 3-Benzylisoquinoline-1(2H)-one, 3-benzyl-1,2-dihydroisoquinolin-1-one
| 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 | 787-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CC3=CC=CC=C3C(=O)N2 |
Product Overview
Benzylisoquinolone (CAS 787-46-2), with molecular formula C16H13NO and molecular weight 235.10 g/mol. IUPAC: 3-benzyl-2H-isoquinolin-1-one.
Chemical Property Profile of Benzylisoquinolone
Property Insights of Benzylisoquinolone
The XLogP value of 3.1189 indicates that Benzylisoquinolone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.86 Ų, Benzylisoquinolone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzylisoquinolone 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 Benzylisoquinolone?
The CAS number of Benzylisoquinolone is 787-46-2.
What is the molecular formula of Benzylisoquinolone?
The molecular formula of Benzylisoquinolone is C16H13NO.
What is the molecular weight of Benzylisoquinolone?
The molecular weight of Benzylisoquinolone is 235.10 g/mol.
Where can I buy Benzylisoquinolone?
You can request a quote for Benzylisoquinolone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzylisoquinolone?
Yes, KEHONG BIO provides custom synthesis services for Benzylisoquinolone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.