Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate
TL;DR: Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate (CAS 58663-77-7) is a chemical compound with molecular formula C10H15NO4 and molecular weight 213.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,5-dioxo-1-propan-2-ylpyrrolidine-3-carboxylate
Also Known As: ETHYL 1-ISOPROPYL-4,5-DIOXOPYRROLIDINE-3-CARBOXYLATE, 1-ISOPROPYL-4, ETHYL ESTER, ethyl 4,5-dioxo-1-propan-2-ylpyrrolidine-3-carboxylate, ethyl 4,5-dioxo-1-(propan-2-yl)pyrrolidine-3-carboxylate, Ethyl1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate
| Molecular Formula | C10H15NO4 |
|---|---|
| Molecular Weight | 213.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.10011 |
| Heavy Atoms | 15 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 58663-77-7 |
|---|---|
| SMILES | CCOC(=O)C1CN(C(=O)C1=O)C(C)C |
| InChIKey | BYWXZLGNMDAAKJ-UHFFFAOYSA-N |
Product Overview
Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate (CAS 58663-77-7), with molecular formula C10H15NO4 and molecular weight 213.10 g/mol. IUPAC: ethyl 4,5-dioxo-1-propan-2-ylpyrrolidine-3-carboxylate.
Chemical Property Profile of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate
Property Insights of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 4 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 Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate?
The CAS number of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate is 58663-77-7.
What is the molecular formula of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate?
The molecular formula of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate is C10H15NO4.
What is the molecular weight of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate?
The molecular weight of Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate is 213.10 g/mol.
Where can I buy Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate?
You can request a quote for Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-isopropyl-4,5-dioxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.