Butanal, 3-methyl-2-oxo-, 1-oxime
TL;DR: Butanal, 3-methyl-2-oxo-, 1-oxime (CAS 90656-61-4) is a chemical compound with molecular formula C5H9NO2 and molecular weight 115.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1E)-1-hydroxyimino-3-methylbutan-2-one
Also Known As: 3-Methyl-2-oxobutanal 1-oxime, 1-hydroxyimino-2-oxo-3-methyl-butane, BUTANAL, 3-METHYL-2-OXO-, 1-OXIME, Butanal,3-methyl-2-oxo-,1-oxime, 1-hydroxyimino-3-methyl-2-butanone
| Molecular Formula | C5H9NO2 |
|---|---|
| Molecular Weight | 115.06 g/mol |
| LogP | 0.6715 |
| Topological Polar Surface Area | 49.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 115.06333 |
| Heavy Atoms | 8 |
| Complexity | 106.9963 |
Chemical Identifiers
| CAS Number | 90656-61-4 |
|---|---|
| SMILES | CC(C)C(=O)/C=N/O |
Product Overview
Butanal, 3-methyl-2-oxo-, 1-oxime (CAS 90656-61-4), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: (1E)-1-hydroxyimino-3-methylbutan-2-one.
Chemical Property Profile of Butanal, 3-methyl-2-oxo-, 1-oxime
Property Insights of Butanal, 3-methyl-2-oxo-, 1-oxime
The XLogP value of 0.6715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanal, 3-methyl-2-oxo-, 1-oxime. With a topological polar surface area (TPSA) of 49.66 Ų, Butanal, 3-methyl-2-oxo-, 1-oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanal, 3-methyl-2-oxo-, 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 Butanal, 3-methyl-2-oxo-, 1-oxime?
The CAS number of Butanal, 3-methyl-2-oxo-, 1-oxime is 90656-61-4.
What is the molecular formula of Butanal, 3-methyl-2-oxo-, 1-oxime?
The molecular formula of Butanal, 3-methyl-2-oxo-, 1-oxime is C5H9NO2.
What is the molecular weight of Butanal, 3-methyl-2-oxo-, 1-oxime?
The molecular weight of Butanal, 3-methyl-2-oxo-, 1-oxime is 115.06 g/mol.
Where can I buy Butanal, 3-methyl-2-oxo-, 1-oxime?
You can request a quote for Butanal, 3-methyl-2-oxo-, 1-oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanal, 3-methyl-2-oxo-, 1-oxime?
Yes, KEHONG BIO provides custom synthesis services for Butanal, 3-methyl-2-oxo-, 1-oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.