2-Oxo-3-(methylsulfonyl)propanal oxime
TL;DR: 2-Oxo-3-(methylsulfonyl)propanal oxime (CAS 112740-58-6) is a chemical compound with molecular formula C4H7NO4S and molecular weight 165.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-hydroxyimino-3-methylsulfonylpropan-2-one
Also Known As: 2-oxo-3-(methylsulfonyl)propanal oxime, 1-Hydroxyimino-3-methylsulfonylacetone, 2-OXOPROPANAL OXIME,1-METHYLSULFONE, (1E)-1-Hydroxyimino-3-methylsulfonylpropan-2-one, 1-(hydroxyimino)-3-methanesulfonylpropan-2-one
| Molecular Formula | C4H7NO4S |
|---|---|
| Molecular Weight | 165.01 g/mol |
| LogP | -0.9399 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 165.00958 |
| Heavy Atoms | 10 |
| Complexity | 239.9832 |
Chemical Identifiers
| CAS Number | 112740-58-6 |
|---|---|
| SMILES | CS(=O)(=O)CC(=O)/C=N/O |
Product Overview
2-Oxo-3-(methylsulfonyl)propanal oxime (CAS 112740-58-6), with molecular formula C4H7NO4S and molecular weight 165.01 g/mol. IUPAC: (1E)-1-hydroxyimino-3-methylsulfonylpropan-2-one.
Chemical Property Profile of 2-Oxo-3-(methylsulfonyl)propanal oxime
Property Insights of 2-Oxo-3-(methylsulfonyl)propanal oxime
The XLogP value of -0.9399 indicates that 2-Oxo-3-(methylsulfonyl)propanal oxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-3-(methylsulfonyl)propanal oxime. Following Lipinski's Rule of Five, 2-Oxo-3-(methylsulfonyl)propanal oxime has 1 hydrogen bond donor(s) and 5 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-Oxo-3-(methylsulfonyl)propanal oxime?
The CAS number of 2-Oxo-3-(methylsulfonyl)propanal oxime is 112740-58-6.
What is the molecular formula of 2-Oxo-3-(methylsulfonyl)propanal oxime?
The molecular formula of 2-Oxo-3-(methylsulfonyl)propanal oxime is C4H7NO4S.
What is the molecular weight of 2-Oxo-3-(methylsulfonyl)propanal oxime?
The molecular weight of 2-Oxo-3-(methylsulfonyl)propanal oxime is 165.01 g/mol.
Where can I buy 2-Oxo-3-(methylsulfonyl)propanal oxime?
You can request a quote for 2-Oxo-3-(methylsulfonyl)propanal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxo-3-(methylsulfonyl)propanal oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3-(methylsulfonyl)propanal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.