2-Furylisoquinolylmethyl benzoate
TL;DR: 2-Furylisoquinolylmethyl benzoate (CAS 50966-61-5) is a chemical compound with molecular formula C21H15NO3 and molecular weight 329.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[furan-2-yl(isoquinolin-1-yl)methyl] benzoate
Also Known As: 2-furylisoquinolylmethyl benzoate, [furan-2-yl(isoquinolin-1-yl)methyl] benzoate
| Molecular Formula | C21H15NO3 |
|---|---|
| Molecular Weight | 329.11 g/mol |
| LogP | 4.7742 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.1052 |
| Heavy Atoms | 25 |
| Complexity | 988.7826 |
Chemical Identifiers
| CAS Number | 50966-61-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC(C2=CC=CO2)C3=NC=CC4=CC=CC=C43 |
Product Overview
2-Furylisoquinolylmethyl benzoate (CAS 50966-61-5), with molecular formula C21H15NO3 and molecular weight 329.11 g/mol. IUPAC: [furan-2-yl(isoquinolin-1-yl)methyl] benzoate.
Chemical Property Profile of 2-Furylisoquinolylmethyl benzoate
Property Insights of 2-Furylisoquinolylmethyl benzoate
The XLogP value of 4.7742 indicates that 2-Furylisoquinolylmethyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, 2-Furylisoquinolylmethyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Furylisoquinolylmethyl benzoate has 0 hydrogen bond donor(s) and 4 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-Furylisoquinolylmethyl benzoate?
The CAS number of 2-Furylisoquinolylmethyl benzoate is 50966-61-5.
What is the molecular formula of 2-Furylisoquinolylmethyl benzoate?
The molecular formula of 2-Furylisoquinolylmethyl benzoate is C21H15NO3.
What is the molecular weight of 2-Furylisoquinolylmethyl benzoate?
The molecular weight of 2-Furylisoquinolylmethyl benzoate is 329.11 g/mol.
Where can I buy 2-Furylisoquinolylmethyl benzoate?
You can request a quote for 2-Furylisoquinolylmethyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Furylisoquinolylmethyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Furylisoquinolylmethyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.