Methylsulfonyl acetate
TL;DR: Methylsulfonyl acetate (CAS 62020-09-1) is a chemical compound with molecular formula C3H6O4S and molecular weight 138.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methylsulfonyl acetate
Also Known As: methylsulfonyl acetate, methanesulfonyl acetate, ACETYL METHANESULFONATE, methylsulfonylacetate, Busulfan Impurity 10
| Molecular Formula | C3H6O4S |
|---|---|
| Molecular Weight | 138.00 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 137.99867 |
| Heavy Atoms | 8 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 62020-09-1 |
|---|---|
| SMILES | CC(=O)OS(=O)(=O)C |
| InChIKey | SMQSMQUBQPWGAO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methylsulfonyl acetate (CAS 62020-09-1), with molecular formula C3H6O4S and molecular weight 138.00 g/mol. IUPAC: methylsulfonyl acetate.
Chemical Property Profile of Methylsulfonyl acetate
Property Insights of Methylsulfonyl acetate
The XLogP value of -0.3 indicates that Methylsulfonyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylsulfonyl acetate. Following Lipinski's Rule of Five, Methylsulfonyl acetate has 0 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 Methylsulfonyl acetate?
The CAS number of Methylsulfonyl acetate is 62020-09-1.
What is the molecular formula of Methylsulfonyl acetate?
The molecular formula of Methylsulfonyl acetate is C3H6O4S.
What is the molecular weight of Methylsulfonyl acetate?
The molecular weight of Methylsulfonyl acetate is 138.00 g/mol.
Where can I buy Methylsulfonyl acetate?
You can request a quote for Methylsulfonyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylsulfonyl acetate?
Yes, KEHONG BIO provides custom synthesis services for Methylsulfonyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.