Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
TL;DR: Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate (CAS 34218-94-5) is a chemical compound with molecular formula C27H23NO3 and molecular weight 409.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzoyl-3-isoquinolin-1-yl-3-phenylpropanoate
Also Known As: ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate, ethyl 2-benzoyl-3-isoquinolin-1-yl-3-phenylpropanoate
| Molecular Formula | C27H23NO3 |
|---|---|
| Molecular Weight | 409.17 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 56.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 409.1678 |
| Heavy Atoms | 31 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 34218-94-5 |
|---|---|
| SMILES | CCOC(=O)C(C(C1=CC=CC=C1)C2=NC=CC3=CC=CC=C32)C(=O)C4=CC=CC=C4 |
| InChIKey | BBWZQZGGDBQMEA-UHFFFAOYSA-N |
Product Overview
Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate (CAS 34218-94-5), with molecular formula C27H23NO3 and molecular weight 409.17 g/mol. IUPAC: ethyl 2-benzoyl-3-isoquinolin-1-yl-3-phenylpropanoate.
Chemical Property Profile of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
Property Insights of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate
The XLogP value of 5.7 indicates that Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate 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 Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate?
The CAS number of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate is 34218-94-5.
What is the molecular formula of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate?
The molecular formula of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate is C27H23NO3.
What is the molecular weight of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate?
The molecular weight of Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate is 409.17 g/mol.
Where can I buy Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate?
You can request a quote for Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-benzoyl-3-(isoquinolin-1-yl)-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.