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1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone
TL;DR: 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone (CAS 285986-97-2) is a chemical compound with molecular formula C14H19NO4S and molecular weight 297.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-benzylsulfonyl-2-hydroxypropyl)pyrrolidin-2-one
Also Known As: 1-[3-(benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone, 1-(2-hydroxy-3-phenylmethanesulfonylpropyl)pyrrolidin-2-one, 1-(3-benzylsulfonyl-2-hydroxypropyl)pyrrolidin-2-one, 1-(3-benzylsulfonyl-2-hydroxy-propyl)pyrrolidin-2-one
| Molecular Formula | C14H19NO4S |
|---|---|
| Molecular Weight | 297.10 g/mol |
| LogP | 0.5847 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 297.1035 |
| Heavy Atoms | 20 |
| Complexity | 555.79645 |
Chemical Identifiers
| CAS Number | 285986-97-2 |
|---|---|
| SMILES | C1CC(=O)N(C1)CC(CS(=O)(=O)CC2=CC=CC=C2)O |
Product Overview
1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone (CAS 285986-97-2), with molecular formula C14H19NO4S and molecular weight 297.10 g/mol. IUPAC: 1-(3-benzylsulfonyl-2-hydroxypropyl)pyrrolidin-2-one.
Chemical Property Profile of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone
Property Insights of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone
The XLogP value of 0.5847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone. Following Lipinski's Rule of Five, 1-[3-(Benzylsulfonyl)-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-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone?
The CAS number of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone is 285986-97-2.
What is the molecular formula of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone?
The molecular formula of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone is C14H19NO4S.
What is the molecular weight of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone?
The molecular weight of 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone is 297.10 g/mol.
Where can I buy 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone?
You can request a quote for 1-[3-(Benzylsulfonyl)-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-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Benzylsulfonyl)-2-hydroxypropyl]-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.