![1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone structure](/static/products/5484/5484-75-3.webp)
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone
TL;DR: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone (CAS 5484-75-3) is a chemical compound with molecular formula C26H26N2O3S and molecular weight 446.17 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-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone
Also Known As: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone, 2-acenaphthen-5-ylsulfanyl-1-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]ethanone, 1-{4-[(2H-1,3-Benzodioxol-5-yl)methyl]piperazin-1-yl}-2-[(1,2-dihydroacenaphthylen-5-yl)sulfanyl]ethan-1-one
| Molecular Formula | C26H26N2O3S |
|---|---|
| Molecular Weight | 446.17 g/mol |
| LogP | 4.1036 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1664 |
| Heavy Atoms | 32 |
| Complexity | 1176.9008 |
Chemical Identifiers
| CAS Number | 5484-75-3 |
|---|---|
| SMILES | C1CC2=CC=C(C3=CC=CC1=C23)SCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone (CAS 5484-75-3), with molecular formula C26H26N2O3S and molecular weight 446.17 g/mol. IUPAC: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone.
Chemical Property Profile of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone
Property Insights of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone
The XLogP value of 4.1036 indicates that 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)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-(1,2-dihydroacenaphthylen-5-ylsulfanyl)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-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone?
The CAS number of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone is 5484-75-3.
What is the molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone?
The molecular formula of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone is C26H26N2O3S.
What is the molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone?
The molecular weight of 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone is 446.17 g/mol.
Where can I buy 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone?
You can request a quote for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)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-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(1,2-dihydroacenaphthylen-5-ylsulfanyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.