![2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate structure](/static/products/5001/500105-28-2.webp)
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate (CAS 500105-28-2) is a chemical compound with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate
Also Known As: BAS 05289091, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate, [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-2-oxo-1-phenylethyl acetate, 2-[4-(1,3-BENZODIOXOL-5-YLMETHYL)PIPERAZINO]-2-OXO-1-PHENYLETHYL ACETATE
| Molecular Formula | C22H24N2O5 |
|---|---|
| Molecular Weight | 396.17 g/mol |
| LogP | 2.3639 |
| Topological Polar Surface Area | 68.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.16852 |
| Heavy Atoms | 29 |
| Complexity | 878.0263 |
Chemical Identifiers
| CAS Number | 500105-28-2 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4 |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate (CAS 500105-28-2), with molecular formula C22H24N2O5 and molecular weight 396.17 g/mol. IUPAC: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl] acetate.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate
The XLogP value of 2.3639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate. The TPSA of 68.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate has 0 hydrogen bond donor(s) and 6 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 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate is 500105-28-2.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate is C22H24N2O5.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate is 396.17 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxo-1-phenylethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.