2-Oxobutanal 1-oxime
TL;DR: 2-Oxobutanal 1-oxime (CAS 90656-59-0) is a chemical compound with molecular formula C4H7NO2 and molecular weight 101.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxyiminobutan-2-one
Also Known As: oximinobutanone, 2-Oxobutanal 1-oxime, 2-oxo-butyraldehyde oxime, 1-Hydroxyimino-2-butanone, 1-(hydroxyimino)butan-2-one
| Molecular Formula | C4H7NO2 |
|---|---|
| Molecular Weight | 101.05 g/mol |
| LogP | 0.4255 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.047676 |
| Heavy Atoms | 7 |
| Complexity | 87.69058 |
Chemical Identifiers
| CAS Number | 90656-59-0 |
|---|---|
| SMILES | CCC(=O)C=NO |
Product Overview
2-Oxobutanal 1-oxime (CAS 90656-59-0), with molecular formula C4H7NO2 and molecular weight 101.05 g/mol. IUPAC: 1-hydroxyiminobutan-2-one.
Chemical Property Profile of 2-Oxobutanal 1-oxime
Property Insights of 2-Oxobutanal 1-oxime
The XLogP value of 0.4255 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Oxobutanal 1-oxime. With a topological polar surface area (TPSA) of 49.66 Ų, 2-Oxobutanal 1-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxobutanal 1-oxime has 1 hydrogen bond donor(s) and 3 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-Oxobutanal 1-oxime?
The CAS number of 2-Oxobutanal 1-oxime is 90656-59-0.
What is the molecular formula of 2-Oxobutanal 1-oxime?
The molecular formula of 2-Oxobutanal 1-oxime is C4H7NO2.
What is the molecular weight of 2-Oxobutanal 1-oxime?
The molecular weight of 2-Oxobutanal 1-oxime is 101.05 g/mol.
Where can I buy 2-Oxobutanal 1-oxime?
You can request a quote for 2-Oxobutanal 1-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxobutanal 1-oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxobutanal 1-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.