Zocainone
TL;DR: Zocainone (CAS 68876-74-4) is a chemical compound with molecular formula C22H27NO3 and molecular weight 353.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-one
Also Known As: Zocainone, Zocainone [INN], zocainona, zocainonum, (E)-3-(o-(2-(Diethylamino)ethoxy)phenoxy)-4-phenyl-3-buten-2-one
| Molecular Formula | C22H27NO3 |
|---|---|
| Molecular Weight | 353.20 g/mol |
| LogP | 4.4161 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 353.1991 |
| Heavy Atoms | 26 |
| Complexity | 721.17706 |
Chemical Identifiers
| CAS Number | 68876-74-4 |
|---|---|
| SMILES | CCN(CC)CCOC1=CC=CC=C1O/C(=C/C2=CC=CC=C2)/C(=O)C |
Product Overview
Zocainone (CAS 68876-74-4), with molecular formula C22H27NO3 and molecular weight 353.20 g/mol. IUPAC: (E)-3-[2-[2-(diethylamino)ethoxy]phenoxy]-4-phenylbut-3-en-2-one.
Chemical Property Profile of Zocainone
Property Insights of Zocainone
The XLogP value of 4.4161 indicates that Zocainone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, Zocainone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Zocainone has 0 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 Zocainone?
The CAS number of Zocainone is 68876-74-4.
What is the molecular formula of Zocainone?
The molecular formula of Zocainone is C22H27NO3.
What is the molecular weight of Zocainone?
The molecular weight of Zocainone is 353.20 g/mol.
Where can I buy Zocainone?
You can request a quote for Zocainone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Zocainone?
Yes, KEHONG BIO provides custom synthesis services for Zocainone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.