![1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone structure](/static/products/4000/400083-35-4.webp)
1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone
TL;DR: 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone (CAS 400083-35-4) is a chemical compound with molecular formula C18H27NO4S and molecular weight 353.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(4-tert-butylphenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-one
Also Known As: 1-(3-{[4-(tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone, 1-[3-[(4-tert-butylphenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-one, 1-{3-[(4-tert-butylphenyl)methanesulfonyl]-2-hydroxypropyl}pyrrolidin-2-one
| Molecular Formula | C18H27NO4S |
|---|---|
| Molecular Weight | 353.17 g/mol |
| LogP | 1.8822 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.16608 |
| Heavy Atoms | 24 |
| Complexity | 673.96545 |
Chemical Identifiers
| CAS Number | 400083-35-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CS(=O)(=O)CC(CN2CCCC2=O)O |
Product Overview
1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone (CAS 400083-35-4), with molecular formula C18H27NO4S and molecular weight 353.17 g/mol. IUPAC: 1-[3-[(4-tert-butylphenyl)methylsulfonyl]-2-hydroxypropyl]pyrrolidin-2-one.
Chemical Property Profile of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone
Property Insights of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone
The XLogP value of 1.8822 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone. Following Lipinski's Rule of Five, 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-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-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone?
The CAS number of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone is 400083-35-4.
What is the molecular formula of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone?
The molecular formula of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone is C18H27NO4S.
What is the molecular weight of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone?
The molecular weight of 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone is 353.17 g/mol.
Where can I buy 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone?
You can request a quote for 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-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-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-{[4-(Tert-butyl)benzyl]sulfonyl}-2-hydroxypropyl)-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.