![2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione structure](/static/products/489/489401-32-3.png)
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione
TL;DR: 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione (CAS 489401-32-3) is a chemical compound with molecular formula C22H19ClN2O4 and molecular weight 410.10 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]-3-chloronaphthalene-1,4-dione
Also Known As: J3.553.425C, 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione, 2-(4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)-3-chloronaphthalene-1,4-dione, 2-[4-(1,3-Benzodioxole-5-ylmethyl)-1-piperazinyl]-3-chloro-1,4-naphthoquinone, 2-[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]-3-chloro-naphthalene-1,4-dione
| Molecular Formula | C22H19ClN2O4 |
|---|---|
| Molecular Weight | 410.10 g/mol |
| LogP | 3.0625 |
| Topological Polar Surface Area | 59.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 410.10333 |
| Heavy Atoms | 29 |
| Complexity | 1040.8578 |
Chemical Identifiers
| CAS Number | 489401-32-3 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=C(C(=O)C5=CC=CC=C5C4=O)Cl |
Product Overview
2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione (CAS 489401-32-3), with molecular formula C22H19ClN2O4 and molecular weight 410.10 g/mol. IUPAC: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione.
Chemical Property Profile of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione
Property Insights of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione
The XLogP value of 3.0625 indicates that 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.08 Ų, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione 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]-3-chloronaphthalene-1,4-dione?
The CAS number of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione is 489401-32-3.
What is the molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione?
The molecular formula of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione is C22H19ClN2O4.
What is the molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione?
The molecular weight of 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione is 410.10 g/mol.
Where can I buy 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione?
You can request a quote for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione 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]-3-chloronaphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazin-1-yl]-3-chloronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.