Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate
TL;DR: Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate (CAS 71408-31-6) is a chemical compound with molecular formula C8H10N2O2S4 and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate
Also Known As: dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate
| Molecular Formula | C8H10N2O2S4 |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.96252 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 71408-31-6 |
|---|---|
| SMILES | CSC(=S)N1CC(=O)N(CC1=O)C(=S)SC |
| InChIKey | OLOUVDGKWZIXDG-UHFFFAOYSA-N |
Product Overview
Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate (CAS 71408-31-6), with molecular formula C8H10N2O2S4 and molecular weight 293.96 g/mol. IUPAC: dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate.
Chemical Property Profile of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate
Property Insights of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate. The TPSA of 155.0 Ų indicates high polarity, suggesting Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate 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 Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate?
The CAS number of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate is 71408-31-6.
What is the molecular formula of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate?
The molecular formula of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate is C8H10N2O2S4.
What is the molecular weight of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate?
The molecular weight of Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate is 293.96 g/mol.
Where can I buy Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate?
You can request a quote for Dimethyl 2,5-dioxopiperazine-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 Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,5-dioxopiperazine-1,4-dicarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.