Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate
TL;DR: Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate (CAS 111711-77-4) is a chemical compound with molecular formula C14H17NO6S and molecular weight 327.07767 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-(2-ethoxy-5-oxopyrrolidin-1-yl)sulfonylbenzoate
Also Known As: Methyl 3-((2-ethoxy-5-oxo-1-pyrrolidinyl)sulfonyl)benzoate, Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate, methyl 3-(2-ethoxy-5-oxopyrrolidin-1-yl)sulfonylbenzoate, Benzoic acid, 3-((2-ethoxy-5-oxo-1-pyrrolidinyl)sulfonyl)-, methyl ester, methyl 3-[(2-ethoxy-5-oxopyrrolidin-1-yl)sulfonyl]benzoate
Technical Specifications
| Molecular Formula | C14H17NO6S |
| Molecular Weight | 327.07767 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 327.07767 Da |
| Heavy Atoms | 22 |
| Complexity | 526.0 |
| SMILES | CCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC(=C2)C(=O)OC |
| InChIKey | JVIJGLWKOSWMFI-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate
Property Insights of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate has 0 hydrogen bond donor(s) and 6 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 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate?
The CAS number of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate is 111711-77-4.
What is the molecular formula of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate?
The molecular formula of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate is C14H17NO6S.
What is the molecular weight of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate?
The molecular weight of Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate is 327.07767 g/mol.
Where can I buy Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate?
You can request a quote for Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-(2-ethoxy-5-oxopyrrolidine-1-sulfonyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.