![1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone structure](/static/products/4000/400083-34-3.webp)
1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone
TL;DR: 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone (CAS 400083-34-3) is a chemical compound with molecular formula C15H21NO4S and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-hydroxy-3-[(2-methylphenyl)methylsulfonyl]propyl]pyrrolidin-2-one
Also Known As: 1-{2-hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone, 1-{2-hydroxy-3-[(2-methylphenyl)methanesulfonyl]propyl}pyrrolidin-2-one, 1-[2-hydroxy-3-[(2-methylphenyl)methylsulfonyl]propyl]pyrrolidin-2-one, 1-[2-hydroxy-3-(o-tolylmethylsulfonyl)propyl]pyrrolidin-2-one
| Molecular Formula | C15H21NO4S |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 0.89312 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.11914 |
| Heavy Atoms | 21 |
| Complexity | 611.85455 |
Chemical Identifiers
| CAS Number | 400083-34-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CS(=O)(=O)CC(CN2CCCC2=O)O |
Product Overview
1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone (CAS 400083-34-3), with molecular formula C15H21NO4S and molecular weight 311.12 g/mol. IUPAC: 1-[2-hydroxy-3-[(2-methylphenyl)methylsulfonyl]propyl]pyrrolidin-2-one.
Chemical Property Profile of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone
Property Insights of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone
The XLogP value of 0.89312 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone. Following Lipinski's Rule of Five, 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone?
The CAS number of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone is 400083-34-3.
What is the molecular formula of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone?
The molecular formula of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone is C15H21NO4S.
What is the molecular weight of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone?
The molecular weight of 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone is 311.12 g/mol.
Where can I buy 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone?
You can request a quote for 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-{2-Hydroxy-3-[(2-methylbenzyl)sulfonyl]propyl}-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.