Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate
TL;DR: Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate (CAS 124753-97-5) is a chemical compound with molecular formula C16H18N4O6 and molecular weight 362.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(2-cyano-1-ethoxycarbonyl-3-oxopyrrolidin-2-yl)-3-oxopyrrolidine-1-carboxylate
Also Known As: diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate, Diethyl 2,2'-dicyano-3,3'-dioxo-[2,2'-bipyrrolidine]-1,1'-dicarboxylate, ethyl 2-cyano-2-(2-cyano-1-ethoxycarbonyl-3-oxopyrrolidin-2-, Diethyl 2,2'-dicyano-3,3'-dioxo[2,2'-bipyrrolidine]-1,1'-dicarboxylate, ethyl 2-cyano-2-(2-cyano-1-ethoxycarbonyl-3-oxopyrrolidin-2-yl)-3-oxopyrrolidine-1-carboxylate
| Molecular Formula | C16H18N4O6 |
|---|---|
| Molecular Weight | 362.12 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 362.12262 |
| Heavy Atoms | 26 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 124753-97-5 |
|---|---|
| SMILES | CCOC(=O)N1CCC(=O)C1(C#N)C2(C(=O)CCN2C(=O)OCC)C#N |
| InChIKey | YDRUQCATCVIBJJ-UHFFFAOYSA-N |
Product Overview
Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate (CAS 124753-97-5), with molecular formula C16H18N4O6 and molecular weight 362.12 g/mol. IUPAC: ethyl 2-cyano-2-(2-cyano-1-ethoxycarbonyl-3-oxopyrrolidin-2-yl)-3-oxopyrrolidine-1-carboxylate.
Chemical Property Profile of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate
Property Insights of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate
The XLogP value of -0.5 indicates that Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 141.0 Ų indicates high polarity, suggesting Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate has 0 hydrogen bond donor(s) and 8 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 Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate?
The CAS number of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate is 124753-97-5.
What is the molecular formula of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate?
The molecular formula of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate is C16H18N4O6.
What is the molecular weight of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate?
The molecular weight of Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate is 362.12 g/mol.
Where can I buy Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate?
You can request a quote for Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2,2'-dicyano-3,3'-dioxo-2,2'-bipyrrolidine-1,1'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.