Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate
TL;DR: Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate (CAS 24588-74-7) is a chemical compound with molecular formula C14H23NO5 and molecular weight 285.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate
Also Known As: NCIOpen2_004310, diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate, 3-butyl-5-oxo-pyrrolidine-2,2-dicarboxylic acid diethyl ester, 2,2-Pyrrolidinedicarboxylicacid, 3-butyl-5-oxo-, 2,2-diethyl ester
| Molecular Formula | C14H23NO5 |
|---|---|
| Molecular Weight | 285.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 285.15762 |
| Heavy Atoms | 20 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 24588-74-7 |
|---|---|
| SMILES | CCCCC1CC(=O)NC1(C(=O)OCC)C(=O)OCC |
| InChIKey | SAXRPHBHTIPNEP-UHFFFAOYSA-N |
Product Overview
Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate (CAS 24588-74-7), with molecular formula C14H23NO5 and molecular weight 285.16 g/mol. IUPAC: diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate.
Chemical Property Profile of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate
Property Insights of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 3-butyl-5-oxopyrrolidine-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 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate?
The CAS number of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate is 24588-74-7.
What is the molecular formula of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate?
The molecular formula of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate is C14H23NO5.
What is the molecular weight of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate?
The molecular weight of Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate is 285.16 g/mol.
Where can I buy Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate?
You can request a quote for Diethyl 3-butyl-5-oxopyrrolidine-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 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 3-butyl-5-oxopyrrolidine-2,2-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.