1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone
TL;DR: 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone (CAS 867136-97-8) 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.
1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone
Also Known As: IFLab1_006355, 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone, 2-(3,5-dimethylphenoxy)-1-[4-benzylpiperazinyl]ethan-1-one
| Molecular Formula | C21H26N2O2 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 3.02664 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.19943 |
| Heavy Atoms | 25 |
| Complexity | 686.84094 |
Chemical Identifiers
| CAS Number | 867136-97-8 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3)C |
Product Overview
1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone (CAS 867136-97-8), with molecular formula C21H26N2O2 and molecular weight 338.20 g/mol. IUPAC: 1-(4-benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone.
Chemical Property Profile of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone
Property Insights of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone
The XLogP value of 3.02664 indicates that 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone has 0 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 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone?
The CAS number of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone is 867136-97-8.
What is the molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone?
The molecular formula of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone is C21H26N2O2.
What is the molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone?
The molecular weight of 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone is 338.20 g/mol.
Where can I buy 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone?
You can request a quote for 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Benzylpiperazin-1-yl)-2-(3,5-dimethylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.