Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate
TL;DR: Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate (CAS 102665-49-6) is a chemical compound with molecular formula C24H19NO3 and molecular weight 369.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[isoquinolin-1-yl-(4-methoxyphenyl)methyl] benzoate
Also Known As: ChemDiv3_007327, IDI1_025237, isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate, (isoquinolin-1-yl)(4-methoxyphenyl)methyl benzoate, isoquinolyl(4-methoxyphenyl)methyl benzoate
| Molecular Formula | C24H19NO3 |
|---|---|
| Molecular Weight | 369.14 g/mol |
| LogP | 5.1898 |
| Topological Polar Surface Area | 48.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.1365 |
| Heavy Atoms | 28 |
| Complexity | 1086.324 |
Chemical Identifiers
| CAS Number | 102665-49-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4 |
Product Overview
Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate (CAS 102665-49-6), with molecular formula C24H19NO3 and molecular weight 369.14 g/mol. IUPAC: [isoquinolin-1-yl-(4-methoxyphenyl)methyl] benzoate.
Chemical Property Profile of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate
Property Insights of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate
The XLogP value of 5.1898 indicates that Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate 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 benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate 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 benzoate?
The CAS number of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate is 102665-49-6.
What is the molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate?
The molecular formula of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate is C24H19NO3.
What is the molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate?
The molecular weight of Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate is 369.14 g/mol.
Where can I buy Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate?
You can request a quote for Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate 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 benzoate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-1-yl(4-methoxyphenyl)methyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.