1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate
TL;DR: 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate (CAS 111711-98-9) is a chemical compound with molecular formula C12H13NO5S and molecular weight 283.05145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[1-(benzenesulfonyl)-5-oxopyrrolidin-2-yl] acetate
Also Known As: 5-Acetoxy-1-phenylsulfonyl-2-pyrrolidinone, 2-Pyrrolidinone, 5-(acetyloxy)-1-(phenylsulfonyl)-, [1-(benzenesulfonyl)-5-oxopyrrolidin-2-yl] acetate, 1-(BENZENESULFONYL)-5-OXOPYRROLIDIN-2-YL ACETATE, 2-Pyrrolidinone,5-(acetyloxy)-1-(phenylsulfonyl)-
Technical Specifications
| Molecular Formula | C12H13NO5S |
| Molecular Weight | 283.05145 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.05145 Da |
| Heavy Atoms | 19 |
| Complexity | 461.0 |
| SMILES | CC(=O)OC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | WAGXHCZUAWDIGP-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate
Property Insights of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate 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 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate?
The CAS number of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate is 111711-98-9.
What is the molecular formula of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate?
The molecular formula of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate is C12H13NO5S.
What is the molecular weight of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate?
The molecular weight of 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate is 283.05145 g/mol.
Where can I buy 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate?
You can request a quote for 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate?
Yes, CoreyChem provides custom synthesis services for 1-(Benzenesulfonyl)-5-oxopyrrolidin-2-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.