3-Methylbutan-2-one oxime
TL;DR: 3-Methylbutan-2-one oxime (CAS 600-20-4) is a chemical compound with molecular formula C5H11NO and molecular weight 101.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(NZ)-N-(3-methylbutan-2-ylidene)hydroxylamine
Also Known As: 3-methylbutan-2-one oxime, 3-Methyl-2-butanone, oxime, (Z)-3-Methylbutan-2-one oxime, (2Z)-3-methylbutan-2-one oxime, (NZ)-N-(3-methylbutan-2-ylidene)hydroxylamine
| Molecular Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.08 g/mol |
| LogP | 1.4925 |
| Topological Polar Surface Area | 32.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 101.08406 |
| Heavy Atoms | 7 |
| Complexity | 76.14934 |
Chemical Identifiers
| CAS Number | 600-20-4 |
|---|---|
| SMILES | CC(C)/C(=N\O)/C |
Product Overview
3-Methylbutan-2-one oxime (CAS 600-20-4), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: (NZ)-N-(3-methylbutan-2-ylidene)hydroxylamine.
Chemical Property Profile of 3-Methylbutan-2-one oxime
Property Insights of 3-Methylbutan-2-one oxime
The XLogP value of 1.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutan-2-one oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Methylbutan-2-one oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutan-2-one oxime has 1 hydrogen bond donor(s) and 2 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 3-Methylbutan-2-one oxime?
The CAS number of 3-Methylbutan-2-one oxime is 600-20-4.
What is the molecular formula of 3-Methylbutan-2-one oxime?
The molecular formula of 3-Methylbutan-2-one oxime is C5H11NO.
What is the molecular weight of 3-Methylbutan-2-one oxime?
The molecular weight of 3-Methylbutan-2-one oxime is 101.08 g/mol.
Where can I buy 3-Methylbutan-2-one oxime?
You can request a quote for 3-Methylbutan-2-one oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutan-2-one oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutan-2-one oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.