Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate
TL;DR: Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate (CAS 24589-93-3) is a chemical compound with molecular formula C12H19NO5 and molecular weight 257.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate
Also Known As: NCIOpen2_004392, Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate, diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate, 2-(2-formyl-4-methoxyphenoxy)acetic acid, 4-ethyl-5,5-dicarbethoxy-2-pyrrolidinone
| Molecular Formula | C12H19NO5 |
|---|---|
| Molecular Weight | 257.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 257.1263 |
| Heavy Atoms | 18 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 24589-93-3 |
|---|---|
| SMILES | CCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC |
| InChIKey | RBLIOZQRPLHAGN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate (CAS 24589-93-3), with molecular formula C12H19NO5 and molecular weight 257.13 g/mol. IUPAC: diethyl 3-ethyl-5-oxopyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate
Property Insights of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate has 1 hydrogen bond donor(s) and 5 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 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate?
The CAS number of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate is 24589-93-3.
What is the molecular formula of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate?
The molecular formula of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate is C12H19NO5.
What is the molecular weight of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate?
The molecular weight of Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate is 257.13 g/mol.
Where can I buy Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate?
You can request a quote for Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-ethyl-5-oxo-2,2-pyrrolidinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.