ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate
TL;DR: ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate (CAS 131436-78-7) is a chemical compound with molecular formula C12H13NO4S and molecular weight 267.05652 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate
Also Known As: ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate, ethyl 4,5-dioxo-1-(thiophen-2-ylmethyl)pyrrolidine-3-carboxylate, 4-Hydroxy-5-oxo-1-thiophen-2-ylmethyl-2,5-dihydro-1H-pyrrole-3-carboxylic acid ethyl ester, ethyl 4-hydroxy-5-oxo-1-(2-thienylmethyl)-2,5-dihydro-1H-pyrrole-3-carboxylate
Technical Specifications
| Molecular Formula | C12H13NO4S |
| Molecular Weight | 267.05652 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 267.05652 Da |
| Heavy Atoms | 18 |
| Complexity | 371.0 |
| SMILES | CCOC(=O)C1CN(C(=O)C1=O)CC2=CC=CS2 |
| InChIKey | RFZBVKYVEUTCMN-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate
Property Insights of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-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 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate?
The CAS number of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate is 131436-78-7.
What is the molecular formula of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate?
The molecular formula of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate is C12H13NO4S.
What is the molecular weight of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate?
The molecular weight of ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate is 267.05652 g/mol.
Where can I buy ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate?
You can request a quote for ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 4,5-dioxo-1-(2-thienylmethyl)pyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.