N-Demethylencainide
TL;DR: N-Demethylencainide (CAS 58754-40-8) is a chemical compound with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[2-(2-piperidin-2-ylethyl)phenyl]benzamide
Also Known As: N-Demethylencainide, ND Encainide, N-Desmethylenecainide, MJ 11081, (+-)-4-Methoxy-N-(2-(2-(2-piperidinyl)ethyl)phenyl)benzamide
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 58754-40-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NC2=CC=CC=C2CCC3CCCCN3 |
| InChIKey | QLMVRMLCNYDKJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Demethylencainide (CAS 58754-40-8), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 4-methoxy-N-[2-(2-piperidin-2-ylethyl)phenyl]benzamide.
Chemical Property Profile of N-Demethylencainide
Property Insights of N-Demethylencainide
The XLogP value of 3.8 indicates that N-Demethylencainide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.4 Ų, N-Demethylencainide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Demethylencainide has 2 hydrogen bond donor(s) and 3 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 N-Demethylencainide?
The CAS number of N-Demethylencainide is 58754-40-8.
What is the molecular formula of N-Demethylencainide?
The molecular formula of N-Demethylencainide is C21H26N2O2.
What is the molecular weight of N-Demethylencainide?
The molecular weight of N-Demethylencainide is 338.20 g/mol.
Where can I buy N-Demethylencainide?
You can request a quote for N-Demethylencainide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Demethylencainide?
Yes, KEHONG BIO provides custom synthesis services for N-Demethylencainide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.