Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate
TL;DR: Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate (CAS 97462-02-7) is a chemical compound with molecular formula C18H21NO6 and molecular weight 347.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate
Also Known As: NCIOpen2_007367, diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate, diethyl 4,5-dioxo-1-phenethylpyrrolidine-2,3-dicarboxylate, diethyl 4,5-dioxo-1-phenethyl-pyrrolidine-2,3-dicarboxylate, 4,5-dioxo-1-phenethyl-pyrrolidine-2,3-dicarboxylic acid diethyl ester
| Molecular Formula | C18H21NO6 |
|---|---|
| Molecular Weight | 347.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 347.1369 |
| Heavy Atoms | 25 |
| Complexity | 526.0 |
Chemical Identifiers
| CAS Number | 97462-02-7 |
|---|---|
| SMILES | CCOC(=O)C1C(N(C(=O)C1=O)CCC2=CC=CC=C2)C(=O)OCC |
| InChIKey | NHJVWZVFKVUHHN-UHFFFAOYSA-N |
Product Overview
Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate (CAS 97462-02-7), with molecular formula C18H21NO6 and molecular weight 347.14 g/mol. IUPAC: diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate.
Chemical Property Profile of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate
Property Insights of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate. The TPSA of 90.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-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 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate?
The CAS number of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate is 97462-02-7.
What is the molecular formula of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate?
The molecular formula of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate is C18H21NO6.
What is the molecular weight of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate?
The molecular weight of Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate is 347.14 g/mol.
Where can I buy Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate?
You can request a quote for Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-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 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,5-dioxo-1-(2-phenylethyl)pyrrolidine-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.