1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
TL;DR: 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one (CAS 111711-72-9) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.1035 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,6-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one
Also Known As: 1-((2,6-Dimethylphenyl)sulfonyl)-5-ethoxy-2-pyrrolidinone, 2-Pyrrolidinone, 1-((2,6-dimethylphenyl)sulfonyl)-5-ethoxy-, 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one, 1-(2,6-dimethylphenyl)sulfonyl-5-ethoxypyrrolidin-2-one, 5-Ethoxy-1-[[2,6-dimethylphenyl]sulfonyl]pyrrolidin-2-one
Technical Specifications
| Molecular Formula | C14H19NO4S |
| Molecular Weight | 297.1035 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1035 Da |
| Heavy Atoms | 20 |
| Complexity | 446.0 |
| SMILES | CCOC1CCC(=O)N1S(=O)(=O)C2=C(C=CC=C2C)C |
| InChIKey | YOIRETUUUKEDKC-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
Property Insights of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one. Following Lipinski's Rule of Five, 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one has 0 hydrogen bond donor(s) and 4 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-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one?
The CAS number of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one is 111711-72-9.
What is the molecular formula of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one?
The molecular formula of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one is C14H19NO4S.
What is the molecular weight of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one?
The molecular weight of 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one is 297.1035 g/mol.
Where can I buy 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one?
You can request a quote for 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(2,6-Dimethylbenzene-1-sulfonyl)-5-ethoxypyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.