Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
TL;DR: Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate (CAS 142774-43-4) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.07938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-(furan-2-ylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
Also Known As: H-Gln-Ala-OH, ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate, ethyl 1-(furan-2-ylmethyl)-4,5-dioxopyrrolidine-3-carboxylate, 3-Pyrrolidinecarboxylicacid, 1-(2-furanylmethyl)-4,5-dioxo-, ethyl ester, Ethyl 1-[(furan-2-yl)methyl]-4,5-dioxopyrrolidine-3-carboxylate
Technical Specifications
| Molecular Formula | C12H13NO5 |
| Molecular Weight | 251.07938 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 76.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 Da |
| Heavy Atoms | 18 |
| Complexity | 367.0 |
| SMILES | CCOC(=O)C1CN(C(=O)C1=O)CC2=CC=CO2 |
| InChIKey | YGYRGGBYAUAMKP-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
Property Insights of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate?
The CAS number of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate is 142774-43-4.
What is the molecular formula of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate?
The molecular formula of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate is C12H13NO5.
What is the molecular weight of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate?
The molecular weight of Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate is 251.07938 g/mol.
Where can I buy Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate?
You can request a quote for Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for Ethyl 1-(2-furylmethyl)-4,5-dioxopyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.