![1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone structure](/static/products/546/546106-89-2.png)
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
TL;DR: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone (CAS 546106-89-2) is a chemical compound with molecular formula C21H23ClN2O4 and molecular weight 402.13 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-chloro-2-methylphenoxy)ethanone
Also Known As: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone, 1-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-(4-chloro-2-methylphenoxy)ethanone, 1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methyl-phenoxy)ethanone
| Molecular Formula | C21H23ClN2O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 3.10032 |
| Topological Polar Surface Area | 51.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.13464 |
| Heavy Atoms | 28 |
| Complexity | 865.47925 |
Chemical Identifiers
| CAS Number | 546106-89-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone (CAS 546106-89-2), with molecular formula C21H23ClN2O4 and molecular weight 402.13 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone.
Chemical Property Profile of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
Property Insights of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone
The XLogP value of 3.10032 indicates that 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.24 Ų, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-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-chloro-2-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-chloro-2-methylphenoxy)ethanone?
The CAS number of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone is 546106-89-2.
What is the molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone?
The molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone is C21H23ClN2O4.
What is the molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone?
The molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone is 402.13 g/mol.
Where can I buy 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone?
You can request a quote for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-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-chloro-2-methylphenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-chloro-2-methylphenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.