![2-Butanone, 3-[(methylsulfonyl)oxy]- structure](/static/products/7761/77611-73-5.webp)
2-Butanone, 3-[(methylsulfonyl)oxy]-
TL;DR: 2-Butanone, 3-[(methylsulfonyl)oxy]- (CAS 77611-73-5) is a chemical compound with molecular formula C5H10O4S and molecular weight 166.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxobutan-2-yl methanesulfonate
Also Known As: Acetoin-methansulfonat, 3-oxobutan-2-yl methanesulfonate, 2-Butanone, 3-[(methylsulfonyl)oxy]-, 3-[(Methylsulfonyl)oxy]-2-butanone, 2-Butanone, 3-((methylsulfonyl)oxy)-
| Molecular Formula | C5H10O4S |
|---|---|
| Molecular Weight | 166.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 68.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.02998 |
| Heavy Atoms | 10 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 77611-73-5 |
|---|---|
| SMILES | CC(C(=O)C)OS(=O)(=O)C |
| InChIKey | NJALXZJZDUWKRL-UHFFFAOYSA-N |
Product Overview
2-Butanone, 3-[(methylsulfonyl)oxy]- (CAS 77611-73-5), with molecular formula C5H10O4S and molecular weight 166.03 g/mol. IUPAC: 3-oxobutan-2-yl methanesulfonate.
Chemical Property Profile of 2-Butanone, 3-[(methylsulfonyl)oxy]-
Property Insights of 2-Butanone, 3-[(methylsulfonyl)oxy]-
The XLogP value of -0.2 indicates that 2-Butanone, 3-[(methylsulfonyl)oxy]- 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 2-Butanone, 3-[(methylsulfonyl)oxy]-. Following Lipinski's Rule of Five, 2-Butanone, 3-[(methylsulfonyl)oxy]- 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 2-Butanone, 3-[(methylsulfonyl)oxy]-?
The CAS number of 2-Butanone, 3-[(methylsulfonyl)oxy]- is 77611-73-5.
What is the molecular formula of 2-Butanone, 3-[(methylsulfonyl)oxy]-?
The molecular formula of 2-Butanone, 3-[(methylsulfonyl)oxy]- is C5H10O4S.
What is the molecular weight of 2-Butanone, 3-[(methylsulfonyl)oxy]-?
The molecular weight of 2-Butanone, 3-[(methylsulfonyl)oxy]- is 166.03 g/mol.
Where can I buy 2-Butanone, 3-[(methylsulfonyl)oxy]-?
You can request a quote for 2-Butanone, 3-[(methylsulfonyl)oxy]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butanone, 3-[(methylsulfonyl)oxy]-?
Yes, KEHONG BIO provides custom synthesis services for 2-Butanone, 3-[(methylsulfonyl)oxy]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.