Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride
TL;DR: Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride (CAS 6761-63-3) is a chemical compound with molecular formula C20H24Cl2N2O3 and molecular weight 410.12 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]-1-phenylethanone;dihydrochloride
Also Known As: 1-Benzoylmethyl-4-piperonylpiperazine dihydrochloride, 2-(4-Piperonyl-piperazin-1-yl)acetophenone dihydrochloride, ACETOPHENONE, 2-(4-PIPERONYLPIPERAZIN-1-YL)-, DIHYDROCHLORIDE, Acetophenone, 2-(4-piperonyl-1-piperazinyl)-, dihydrochloride, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylethanone dihydrochloride
| Molecular Formula | C20H24Cl2N2O3 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 3.26 |
| Topological Polar Surface Area | 42.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1164 |
| Heavy Atoms | 27 |
| Complexity | 444.0 |
Chemical Identifiers
| CAS Number | 6761-63-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)C4=CC=CC=C4.Cl.Cl |
| InChIKey | BISFWKGTCGWFED-UHFFFAOYSA-N |
Product Overview
Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride (CAS 6761-63-3), with molecular formula C20H24Cl2N2O3 and molecular weight 410.12 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenylethanone;dihydrochloride.
Chemical Property Profile of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride
Property Insights of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride
The XLogP value of 3.26 indicates that Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride has 2 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 Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride?
The CAS number of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride is 6761-63-3.
What is the molecular formula of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride?
The molecular formula of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride is C20H24Cl2N2O3.
What is the molecular weight of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride?
The molecular weight of Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride is 410.12 g/mol.
Where can I buy Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride?
You can request a quote for Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Acetophenone, 2-(4-piperonylpiperazin-1-yl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.