Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate
TL;DR: Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate (CAS 1219412-74-4) is a chemical compound with molecular formula C10H11NO5S2 and molecular weight 289.00787 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-oxo-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxylate
Also Known As: methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate, methyl 4-oxo-1-(thiophene-2-sulfonyl)pyrrolidine-2-carboxylate, methyl 4-oxo-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxylate, 4H-949, methyl 4-oxo-1-(2-thienylsulfonyl)pyrrolidine-2-carboxylate
Technical Specifications
| Molecular Formula | C10H11NO5S2 |
| Molecular Weight | 289.00787 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.00787 Da |
| Heavy Atoms | 18 |
| Complexity | 455.0 |
| SMILES | COC(=O)C1CC(=O)CN1S(=O)(=O)C2=CC=CS2 |
| InChIKey | GHZSMDOJGMGLCJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate
Property Insights of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate. Following Lipinski's Rule of Five, Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate?
The CAS number of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate is 1219412-74-4.
What is the molecular formula of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate?
The molecular formula of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate is C10H11NO5S2.
What is the molecular weight of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate?
The molecular weight of Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate is 289.00787 g/mol.
Where can I buy Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate?
You can request a quote for Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-oxo-1-(2-thienylsulfonyl)-2-pyrrolidinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.