(4-Isoquinolin-1-ylpiperidin-4-yl) benzoate
TL;DR: (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate (CAS 65751-79-3) is a chemical compound with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-isoquinolin-1-ylpiperidin-4-yl) benzoate
Also Known As: (4-isoquinolin-1-ylpiperidin-4-yl) benzoate, 4-(ISOQUINOLIN-1-YL)PIPERIDIN-4-YL BENZOATE
| Molecular Formula | C21H20N2O2 |
|---|---|
| Molecular Weight | 332.15 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 332.15247 |
| Heavy Atoms | 25 |
| Complexity | 455.0 |
Chemical Identifiers
| CAS Number | 65751-79-3 |
|---|---|
| SMILES | C1CNCCC1(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=CC=C4 |
| InChIKey | IIDREDWTMAWCQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Isoquinolin-1-ylpiperidin-4-yl) benzoate (CAS 65751-79-3), with molecular formula C21H20N2O2 and molecular weight 332.15 g/mol. IUPAC: (4-isoquinolin-1-ylpiperidin-4-yl) benzoate.
Chemical Property Profile of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate
Property Insights of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate
The XLogP value of 3.4 indicates that (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.2 Ų, (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate?
The CAS number of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate is 65751-79-3.
What is the molecular formula of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate?
The molecular formula of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate is C21H20N2O2.
What is the molecular weight of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate?
The molecular weight of (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate is 332.15 g/mol.
Where can I buy (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate?
You can request a quote for (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Isoquinolin-1-ylpiperidin-4-yl) benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.