Dibenzyl piperazine-1,4-dicarbodithioate
TL;DR: Dibenzyl piperazine-1,4-dicarbodithioate (CAS 21585-27-3) is a chemical compound with molecular formula C20H22N2S4 and molecular weight 418.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibenzyl piperazine-1,4-dicarbodithioate
Also Known As: dibenzyl piperazine-1,4-dicarbodithioate, 1,4-Di[benzylthiothioxomethyl]piperazine, Dibenzyl piperazine-1,4-bis(carbodithioate), 1,4-dibenzyl piperazine-1,4-dicarbodithioate, J1.052.879H
| Molecular Formula | C20H22N2S4 |
|---|---|
| Molecular Weight | 418.07 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.0666 |
| Heavy Atoms | 26 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 21585-27-3 |
|---|---|
| SMILES | C1CN(CCN1C(=S)SCC2=CC=CC=C2)C(=S)SCC3=CC=CC=C3 |
| InChIKey | GZZYFRGDDFVDJU-UHFFFAOYSA-N |
Product Overview
Dibenzyl piperazine-1,4-dicarbodithioate (CAS 21585-27-3), with molecular formula C20H22N2S4 and molecular weight 418.07 g/mol. IUPAC: dibenzyl piperazine-1,4-dicarbodithioate.
Chemical Property Profile of Dibenzyl piperazine-1,4-dicarbodithioate
Property Insights of Dibenzyl piperazine-1,4-dicarbodithioate
The XLogP value of 5.1 indicates that Dibenzyl piperazine-1,4-dicarbodithioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dibenzyl piperazine-1,4-dicarbodithioate. Following Lipinski's Rule of Five, Dibenzyl piperazine-1,4-dicarbodithioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzyl piperazine-1,4-dicarbodithioate?
The CAS number of Dibenzyl piperazine-1,4-dicarbodithioate is 21585-27-3.
What is the molecular formula of Dibenzyl piperazine-1,4-dicarbodithioate?
The molecular formula of Dibenzyl piperazine-1,4-dicarbodithioate is C20H22N2S4.
What is the molecular weight of Dibenzyl piperazine-1,4-dicarbodithioate?
The molecular weight of Dibenzyl piperazine-1,4-dicarbodithioate is 418.07 g/mol.
Where can I buy Dibenzyl piperazine-1,4-dicarbodithioate?
You can request a quote for Dibenzyl piperazine-1,4-dicarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzyl piperazine-1,4-dicarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dibenzyl piperazine-1,4-dicarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.