3-Methylbutyraldehyde oxime
TL;DR: 3-Methylbutyraldehyde oxime (CAS 5780-40-5) 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.
(NE)-N-(3-methylbutylidene)hydroxylamine
Also Known As: 3-Methylbutyraldehyde oxime, Isovaleraldoxime, 3-Methylbutanal oxime, isovaleraldehyde oxime, Butanal, 3-methyl-, oxime, (E)-
| 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 | 2 |
| Exact Mass | 101.08406 |
| Heavy Atoms | 7 |
| Complexity | 59.100494 |
Chemical Identifiers
| CAS Number | 5780-40-5 |
|---|---|
| SMILES | CC(C)C/C=N/O |
Product Overview
3-Methylbutyraldehyde oxime (CAS 5780-40-5), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: (NE)-N-(3-methylbutylidene)hydroxylamine.
Chemical Property Profile of 3-Methylbutyraldehyde oxime
Property Insights of 3-Methylbutyraldehyde oxime
The XLogP value of 1.4925 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyraldehyde oxime. With a topological polar surface area (TPSA) of 32.59 Ų, 3-Methylbutyraldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyraldehyde 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-Methylbutyraldehyde oxime?
The CAS number of 3-Methylbutyraldehyde oxime is 5780-40-5.
What is the molecular formula of 3-Methylbutyraldehyde oxime?
The molecular formula of 3-Methylbutyraldehyde oxime is C5H11NO.
What is the molecular weight of 3-Methylbutyraldehyde oxime?
The molecular weight of 3-Methylbutyraldehyde oxime is 101.08 g/mol.
Where can I buy 3-Methylbutyraldehyde oxime?
You can request a quote for 3-Methylbutyraldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyraldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyraldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.