Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester
TL;DR: Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester (CAS 62370-78-9) is a chemical compound with molecular formula C29H28N2O2 and molecular weight 436.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoate
Also Known As: (4-isoquinolin-1-yl-1-phenethylpiperidin-4-yl) benzoate, Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester, [4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoat, [4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoate, 4-(Isoquinolin-1-yl)-1-(2-phenylethyl)piperidin-4-yl benzoate
| Molecular Formula | C29H28N2O2 |
|---|---|
| Molecular Weight | 436.22 g/mol |
| LogP | 5.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 436.2151 |
| Heavy Atoms | 33 |
| Complexity | 617.0 |
Chemical Identifiers
| CAS Number | 62370-78-9 |
|---|---|
| SMILES | C1CN(CCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4)CCC5=CC=CC=C5 |
| InChIKey | XJAPKZGXYLZNIK-UHFFFAOYSA-N |
Product Overview
Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester (CAS 62370-78-9), with molecular formula C29H28N2O2 and molecular weight 436.22 g/mol. IUPAC: [4-isoquinolin-1-yl-1-(2-phenylethyl)piperidin-4-yl] benzoate.
Chemical Property Profile of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester
Property Insights of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester
The XLogP value of 5.8 indicates that Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester 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 Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester?
The CAS number of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester is 62370-78-9.
What is the molecular formula of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester?
The molecular formula of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester is C29H28N2O2.
What is the molecular weight of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester?
The molecular weight of Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester is 436.22 g/mol.
Where can I buy Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester?
You can request a quote for Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid 4-isoquinolin-1-yl-1-phenethyl-piperidin-4-yl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.