1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one
TL;DR: 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one (CAS 111711-85-4) 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-(benzenesulfonyl)-5-butoxypyrrolidin-2-one
Also Known As: 5-Butoxy-1-(phenylsulfonyl)-2-pyrrolidinone, 1-(benzenesulfonyl)-5-butoxypyrrolidin-2-one, 2-Pyrrolidinone, 5-butoxy-1-(phenylsulfonyl)-, 5-Butoxy-1-[(phenyl)sulfonyl]pyrrolidin-2-one, BRN 4756522
Technical Specifications
| Molecular Formula | C14H19NO4S |
| Molecular Weight | 297.1035 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.1035 Da |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
| SMILES | CCCCOC1CCC(=O)N1S(=O)(=O)C2=CC=CC=C2 |
| InChIKey | KFKUNINQJQROMR-UHFFFAOYSA-N |
Chemical Property Profile of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one
Property Insights of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one. Following Lipinski's Rule of Five, 1-(Benzenesulfonyl)-5-butoxypyrrolidin-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-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one?
The CAS number of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one is 111711-85-4.
What is the molecular formula of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one?
The molecular formula of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one is C14H19NO4S.
What is the molecular weight of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one?
The molecular weight of 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one is 297.1035 g/mol.
Where can I buy 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one?
You can request a quote for 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one?
Yes, CoreyChem provides custom synthesis services for 1-(Benzenesulfonyl)-5-butoxypyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.