3-Methoxy-O-demethylencainide
TL;DR: 3-Methoxy-O-demethylencainide (CAS 81329-71-7) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide
Also Known As: Modecainide, Modecainida, Modecainidum, N-Methylacetanilide, 3-Methoxy-O-demethylencainide
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 81329-71-7 |
|---|---|
| SMILES | CN1CCCCC1CCC2=CC=CC=C2NC(=O)C3=CC(=C(C=C3)O)OC |
| InChIKey | LBYXPDAENJSHDD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxy-O-demethylencainide (CAS 81329-71-7), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: 4-hydroxy-3-methoxy-N-[2-[2-(1-methylpiperidin-2-yl)ethyl]phenyl]benzamide.
Chemical Property Profile of 3-Methoxy-O-demethylencainide
Property Insights of 3-Methoxy-O-demethylencainide
The XLogP value of 3.9 indicates that 3-Methoxy-O-demethylencainide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-O-demethylencainide. Following Lipinski's Rule of Five, 3-Methoxy-O-demethylencainide has 2 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 3-Methoxy-O-demethylencainide?
The CAS number of 3-Methoxy-O-demethylencainide is 81329-71-7.
What is the molecular formula of 3-Methoxy-O-demethylencainide?
The molecular formula of 3-Methoxy-O-demethylencainide is C22H28N2O3.
What is the molecular weight of 3-Methoxy-O-demethylencainide?
The molecular weight of 3-Methoxy-O-demethylencainide is 368.21 g/mol.
Where can I buy 3-Methoxy-O-demethylencainide?
You can request a quote for 3-Methoxy-O-demethylencainide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-O-demethylencainide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-O-demethylencainide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.