![1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone structure](/static/products/4626/462602-96-6.webp)
1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
TL;DR: 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CAS 462602-96-6) is a chemical compound with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
Also Known As: BAS 04057412, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone, 1-(4-Benzo[1,3]dioxol-5-ylmethyl-piperazin-1-yl)-2-p-tolyloxy-ethanone, 1-[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]-2-(4-METHYLPHENOXY)-1-ETHANONE, 1-[4-(2H-1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZIN-1-YL]-2-(4-METHYLPHENOXY)ETHANONE
| Molecular Formula | C21H24N2O4 |
|---|---|
| Molecular Weight | 368.17 g/mol |
| LogP | 2.44692 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.1736 |
| Heavy Atoms | 27 |
| Complexity | 798.3289 |
Chemical Identifiers
| CAS Number | 462602-96-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CAS 462602-96-6), with molecular formula C21H24N2O4 and molecular weight 368.17 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
Chemical Property Profile of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
Property Insights of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
The XLogP value of 2.44692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone. With a topological polar surface area (TPSA) of 51.24 Ų, 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone has 0 hydrogen bond donor(s) and 5 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-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The CAS number of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is 462602-96-6.
What is the molecular formula of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The molecular formula of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is C21H24N2O4.
What is the molecular weight of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The molecular weight of 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is 368.17 g/mol.
Where can I buy 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
You can request a quote for 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)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-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.