Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate
TL;DR: Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate (CAS 446269-97-2) is a chemical compound with molecular formula C26H23NO5 and molecular weight 429.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate
Also Known As: (1-isoquinolyl)(p-methoxyphenyl)methyl veratrate, F1061-0134, (isoquinolin-1-yl)(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate, isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate, [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate
| Molecular Formula | C26H23NO5 |
|---|---|
| Molecular Weight | 429.16 g/mol |
| LogP | 5.207 |
| Topological Polar Surface Area | 66.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.15762 |
| Heavy Atoms | 32 |
| Complexity | 1231.4114 |
Chemical Identifiers
| CAS Number | 446269-97-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC(=C(C=C4)OC)OC |
Product Overview
Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate (CAS 446269-97-2), with molecular formula C26H23NO5 and molecular weight 429.16 g/mol. IUPAC: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] 3,4-dimethoxybenzoate.
Chemical Property Profile of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate
Property Insights of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate
The XLogP value of 5.207 indicates that Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.88 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 6 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 3,4-dimethoxybenzoate?
The CAS number of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate is 446269-97-2.
What is the molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate?
The molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate is C26H23NO5.
What is the molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate?
The molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate is 429.16 g/mol.
Where can I buy Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate?
You can request a quote for Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate 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 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(4-methoxyphenyl)methyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.