2-Methylbutanal oxime
TL;DR: 2-Methylbutanal oxime (CAS 49805-56-3) 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.
N-(2-methylbutylidene)hydroxylamine
Also Known As: 2-methylbutanal oxime, 2-Methylbutyl aldoxime, N-(2-methylbutylidene)hydroxylamine, Butanal, 2-methyl-, oxime, (1E)-2-Methylbutanal oxime #
| Molecular Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.08406 |
| Heavy Atoms | 7 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 49805-56-3 |
|---|---|
| SMILES | CCC(C)C=NO |
| InChIKey | SEWWFHKIKWFJNV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbutanal oxime (CAS 49805-56-3), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: N-(2-methylbutylidene)hydroxylamine.
Chemical Property Profile of 2-Methylbutanal oxime
Property Insights of 2-Methylbutanal oxime
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbutanal oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Methylbutanal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbutanal 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 2-Methylbutanal oxime?
The CAS number of 2-Methylbutanal oxime is 49805-56-3.
What is the molecular formula of 2-Methylbutanal oxime?
The molecular formula of 2-Methylbutanal oxime is C5H11NO.
What is the molecular weight of 2-Methylbutanal oxime?
The molecular weight of 2-Methylbutanal oxime is 101.08 g/mol.
Where can I buy 2-Methylbutanal oxime?
You can request a quote for 2-Methylbutanal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbutanal oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbutanal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.