1-Hydroxyimino-3-methylbutan-2-one
TL;DR: 1-Hydroxyimino-3-methylbutan-2-one (CAS 50627-08-2) 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.
1-hydroxyimino-3-methylbutan-2-one
Also Known As: 3-Methyl-2-oxobutanal 1-oxime, 1-hydroxyimino-3-methyl-2-butanone, Butanal,3-methyl-2-oxo-, 1-oxime, BUTANAL, 3-METHYL-2-OXO-, 1-OXIME
| 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 | 50627-08-2 |
|---|---|
| SMILES | CC(C)C(=O)C=NO |
Product Overview
1-Hydroxyimino-3-methylbutan-2-one (CAS 50627-08-2), with molecular formula C5H9NO2 and molecular weight 115.06 g/mol. IUPAC: 1-hydroxyimino-3-methylbutan-2-one.
Chemical Property Profile of 1-Hydroxyimino-3-methylbutan-2-one
Property Insights of 1-Hydroxyimino-3-methylbutan-2-one
The XLogP value of 0.6715 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Hydroxyimino-3-methylbutan-2-one. With a topological polar surface area (TPSA) of 49.66 Ų, 1-Hydroxyimino-3-methylbutan-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Hydroxyimino-3-methylbutan-2-one 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 1-Hydroxyimino-3-methylbutan-2-one?
The CAS number of 1-Hydroxyimino-3-methylbutan-2-one is 50627-08-2.
What is the molecular formula of 1-Hydroxyimino-3-methylbutan-2-one?
The molecular formula of 1-Hydroxyimino-3-methylbutan-2-one is C5H9NO2.
What is the molecular weight of 1-Hydroxyimino-3-methylbutan-2-one?
The molecular weight of 1-Hydroxyimino-3-methylbutan-2-one is 115.06 g/mol.
Where can I buy 1-Hydroxyimino-3-methylbutan-2-one?
You can request a quote for 1-Hydroxyimino-3-methylbutan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Hydroxyimino-3-methylbutan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-Hydroxyimino-3-methylbutan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.