1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone
TL;DR: 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone (CAS 84707-48-2) is a chemical compound with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
Also Known As: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazino)-1-propanone, 1-(Benzo[d][1,3]dioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one, 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one, 1-(2H-1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one, 5-[3-(4-phenyl-1-piperazinyl)propionyl]-1,3-benzodioxole
| Molecular Formula | C20H22N2O3 |
|---|---|
| Molecular Weight | 338.16 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.16306 |
| Heavy Atoms | 25 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 84707-48-2 |
|---|---|
| SMILES | C1CN(CCN1CCC(=O)C2=CC3=C(C=C2)OCO3)C4=CC=CC=C4 |
| InChIKey | DPZDJGRIQFGMEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone (CAS 84707-48-2), with molecular formula C20H22N2O3 and molecular weight 338.16 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one.
Chemical Property Profile of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone
Property Insights of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone
The XLogP value of 3.0 indicates that 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone 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-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone?
The CAS number of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone is 84707-48-2.
What is the molecular formula of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone?
The molecular formula of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone is C20H22N2O3.
What is the molecular weight of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone?
The molecular weight of 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone is 338.16 g/mol.
Where can I buy 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone?
You can request a quote for 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-Benzodioxol-5-YL)-3-(4-phenyl-1-piperazinyl)-1-propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.