2-Oxo-3-(methylsulfinyl)propanal-oxime
TL;DR: 2-Oxo-3-(methylsulfinyl)propanal-oxime (CAS 112740-56-4) is a chemical compound with molecular formula C4H7NO3S and molecular weight 149.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1Z)-1-hydroxyimino-1-methylsulfinylpropan-2-one
Also Known As: 2-Oxo-3-(methylsulfinyl)propanal-oxime, (1Z)-1-hydroxyimino-1-methylsulfinylpropan-2-one
| Molecular Formula | C4H7NO3S |
|---|---|
| Molecular Weight | 149.01 g/mol |
| LogP | -0.2584 |
| Topological Polar Surface Area | 66.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.01466 |
| Heavy Atoms | 9 |
| Complexity | 158.65157 |
Chemical Identifiers
| CAS Number | 112740-56-4 |
|---|---|
| SMILES | CC(=O)/C(=N/O)/S(=O)C |
Product Overview
2-Oxo-3-(methylsulfinyl)propanal-oxime (CAS 112740-56-4), with molecular formula C4H7NO3S and molecular weight 149.01 g/mol. IUPAC: (1Z)-1-hydroxyimino-1-methylsulfinylpropan-2-one.
Chemical Property Profile of 2-Oxo-3-(methylsulfinyl)propanal-oxime
Property Insights of 2-Oxo-3-(methylsulfinyl)propanal-oxime
The XLogP value of -0.2584 indicates that 2-Oxo-3-(methylsulfinyl)propanal-oxime is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Oxo-3-(methylsulfinyl)propanal-oxime. Following Lipinski's Rule of Five, 2-Oxo-3-(methylsulfinyl)propanal-oxime 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 2-Oxo-3-(methylsulfinyl)propanal-oxime?
The CAS number of 2-Oxo-3-(methylsulfinyl)propanal-oxime is 112740-56-4.
What is the molecular formula of 2-Oxo-3-(methylsulfinyl)propanal-oxime?
The molecular formula of 2-Oxo-3-(methylsulfinyl)propanal-oxime is C4H7NO3S.
What is the molecular weight of 2-Oxo-3-(methylsulfinyl)propanal-oxime?
The molecular weight of 2-Oxo-3-(methylsulfinyl)propanal-oxime is 149.01 g/mol.
Where can I buy 2-Oxo-3-(methylsulfinyl)propanal-oxime?
You can request a quote for 2-Oxo-3-(methylsulfinyl)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-(methylsulfinyl)propanal-oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxo-3-(methylsulfinyl)propanal-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.