5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one
TL;DR: 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one (CAS 83451-43-8) is a chemical compound with molecular formula C9H15NO2S2 and molecular weight 233.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one
Also Known As: 5-(1,3-dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one, 2-PYRROLIDINONE,5-(1,3-DITHIAN-2-YL)-5-HYDROXY-1-METHYL-
| Molecular Formula | C9H15NO2S2 |
|---|---|
| Molecular Weight | 233.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 91.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 233.05443 |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 83451-43-8 |
|---|---|
| SMILES | CN1C(=O)CCC1(C2SCCCS2)O |
| InChIKey | AROQMKKZQZEBJK-UHFFFAOYSA-N |
Product Overview
5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one (CAS 83451-43-8), with molecular formula C9H15NO2S2 and molecular weight 233.05 g/mol. IUPAC: 5-(1,3-dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one.
Chemical Property Profile of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one
Property Insights of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one. The TPSA of 91.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one. Following Lipinski's Rule of Five, 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one 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 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one?
The CAS number of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one is 83451-43-8.
What is the molecular formula of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one?
The molecular formula of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one is C9H15NO2S2.
What is the molecular weight of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one?
The molecular weight of 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one is 233.05 g/mol.
Where can I buy 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one?
You can request a quote for 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(1,3-Dithian-2-yl)-5-hydroxy-1-methylpyrrolidin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.