Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate
TL;DR: Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate (CAS 446269-99-4) is a chemical compound with molecular formula C24H18FNO3 and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl-(4-methoxyphenyl)methyl] 2-fluorobenzoate
Also Known As: isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate, (isoquinolin-1-yl)(4-methoxyphenyl)methyl 2-fluorobenzoate, isoquinolyl(4-methoxyphenyl)methyl 2-fluorobenzoate, [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 2-fluorobenzoate, F1061-0136
| Molecular Formula | C24H18FNO3 |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 5.3289 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 387.12708 |
| Heavy Atoms | 29 |
| Complexity | 1152.8563 |
Chemical Identifiers
| CAS Number | 446269-99-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4F |
Product Overview
Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate (CAS 446269-99-4), with molecular formula C24H18FNO3 and molecular weight 387.13 g/mol. IUPAC: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 2-fluorobenzoate.
Chemical Property Profile of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate
Property Insights of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate
The XLogP value of 5.3289 indicates that Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.42 Ų, Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate?
The CAS number of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate is 446269-99-4.
What is the molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate?
The molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate is C24H18FNO3.
What is the molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate?
The molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate is 387.13 g/mol.
Where can I buy Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate?
You can request a quote for Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(4-methoxyphenyl)methyl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.