Dimethylsulfonioacetate
TL;DR: Dimethylsulfonioacetate (CAS 24220-08-4) is a chemical compound with molecular formula C4H8O2S and molecular weight 120.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-dimethylsulfonioacetate
Also Known As: Sulfobetaine, Dimethylsulfonioacetate, 2-dimethylsulfonioacetate, thetin, (dimethylsulfonio)acetate
| Molecular Formula | C4H8O2S |
|---|---|
| Molecular Weight | 120.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 41.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 120.0245 |
| Heavy Atoms | 7 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 24220-08-4 |
|---|---|
| SMILES | C[S+](C)CC(=O)[O-] |
| InChIKey | PSBDWGZCVUAZQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylsulfonioacetate (CAS 24220-08-4), with molecular formula C4H8O2S and molecular weight 120.02 g/mol. IUPAC: 2-dimethylsulfonioacetate.
Chemical Property Profile of Dimethylsulfonioacetate
Property Insights of Dimethylsulfonioacetate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethylsulfonioacetate. With a topological polar surface area (TPSA) of 41.1 Ų, Dimethylsulfonioacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylsulfonioacetate has 0 hydrogen bond donor(s) and 2 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 Dimethylsulfonioacetate?
The CAS number of Dimethylsulfonioacetate is 24220-08-4.
What is the molecular formula of Dimethylsulfonioacetate?
The molecular formula of Dimethylsulfonioacetate is C4H8O2S.
What is the molecular weight of Dimethylsulfonioacetate?
The molecular weight of Dimethylsulfonioacetate is 120.02 g/mol.
Where can I buy Dimethylsulfonioacetate?
You can request a quote for Dimethylsulfonioacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylsulfonioacetate?
Yes, KEHONG BIO provides custom synthesis services for Dimethylsulfonioacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.