methyl benzoate structure](/static/products/5585/55854-89-2.webp)
[4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate
TL;DR: [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate (CAS 55854-89-2) is a chemical compound with molecular formula C32H27NO5 and molecular weight 505.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)methyl] benzoate
Also Known As: KST-1A6031, [4-(benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate, [(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)meth, [(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)methyl] benzoate, 1-Isoquinolinemethanol,6,7-dimethoxy-a-[4-(phenylmethoxy)phenyl]-,1-benzoate
| Molecular Formula | C32H27NO5 |
|---|---|
| Molecular Weight | 505.19 g/mol |
| LogP | 6.6 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 505.18893 |
| Heavy Atoms | 38 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 55854-89-2 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CN=C2C(C3=CC=C(C=C3)OCC4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC |
| InChIKey | DYEVWJAIKQOWTQ-UHFFFAOYSA-N |
Product Overview
[4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate (CAS 55854-89-2), with molecular formula C32H27NO5 and molecular weight 505.19 g/mol. IUPAC: [(6,7-dimethoxyisoquinolin-1-yl)-(4-phenylmethoxyphenyl)methyl] benzoate.
Chemical Property Profile of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate
Property Insights of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate
The XLogP value of 6.6 indicates that [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate. Following Lipinski's Rule of Five, [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate 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 [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate?
The CAS number of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate is 55854-89-2.
What is the molecular formula of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate?
The molecular formula of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate is C32H27NO5.
What is the molecular weight of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate?
The molecular weight of [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate is 505.19 g/mol.
Where can I buy [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate?
You can request a quote for [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-(Benzyloxy)phenyl](6,7-dimethoxyisoquinolin-1-yl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.