Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate
TL;DR: Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate (CAS 26319-80-2) is a chemical compound with molecular formula C13H21NO5 and molecular weight 271.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate
Also Known As: NCIOpen2_004390, diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate, 4-n-propyl-5,5-dicarbethoxy-2-pyrrolidinone, 2,2-Pyrrolidinedicarboxylicacid, 5-oxo-3-propyl-, 2,2-diethyl ester
| Molecular Formula | C13H21NO5 |
|---|---|
| Molecular Weight | 271.14 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 271.14197 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 26319-80-2 |
|---|---|
| SMILES | CCCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC |
| InChIKey | KTRDJYLZVTYUFD-UHFFFAOYSA-N |
Product Overview
Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate (CAS 26319-80-2), with molecular formula C13H21NO5 and molecular weight 271.14 g/mol. IUPAC: diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate
Property Insights of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate 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 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate?
The CAS number of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate is 26319-80-2.
What is the molecular formula of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate?
The molecular formula of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate is C13H21NO5.
What is the molecular weight of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate?
The molecular weight of Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate is 271.14 g/mol.
Where can I buy Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate?
You can request a quote for Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 5-oxo-3-propylpyrrolidine-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.