Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate
TL;DR: Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate (CAS 97230-47-2) is a chemical compound with molecular formula C17H19NO6 and molecular weight 333.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate
Also Known As: Picfeltarraenin IA, NCIOpen2_007645, diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate, 1-Benzyl-4,5-diethoxycarbonyl-2,3-dioxo-pyrrolidin, diethyl 1-benzyl-4,5-dioxo-pyrrolidine-2,3-dicarboxylate
| Molecular Formula | C17H19NO6 |
|---|---|
| Molecular Weight | 333.12 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 333.12125 |
| Heavy Atoms | 24 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 97230-47-2 |
|---|---|
| SMILES | CCOC(=O)C1C(N(C(=O)C1=O)CC2=CC=CC=C2)C(=O)OCC |
| InChIKey | OJINIQXSRRIYKS-UHFFFAOYSA-N |
Product Overview
Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate (CAS 97230-47-2), with molecular formula C17H19NO6 and molecular weight 333.12 g/mol. IUPAC: diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate.
Chemical Property Profile of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate
Property Insights of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate 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 Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate?
The CAS number of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate is 97230-47-2.
What is the molecular formula of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate?
The molecular formula of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate is C17H19NO6.
What is the molecular weight of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate?
The molecular weight of Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate is 333.12 g/mol.
Where can I buy Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate?
You can request a quote for Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1-benzyl-4,5-dioxopyrrolidine-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.