3-Methylbutanal oxime
TL;DR: 3-Methylbutanal oxime (CAS 626-90-4) 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.
N-(3-methylbutylidene)hydroxylamine
Also Known As: 3-Methylbutanal oxime, 3-Methylbutyraldehyde oxime, 3-methylbutyraldoxime, Butanal, 3-methyl-, oxime, Butanal,3-methyl-,oxime
| Molecular Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.08 g/mol |
| LogP | 1.2 |
| 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 | 59.0 |
Chemical Identifiers
| CAS Number | 626-90-4 |
|---|---|
| SMILES | CC(C)CC=NO |
| InChIKey | JAUPRNSQRRCCRR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylbutanal oxime (CAS 626-90-4), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: N-(3-methylbutylidene)hydroxylamine.
Chemical Property Profile of 3-Methylbutanal oxime
Property Insights of 3-Methylbutanal oxime
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutanal oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 3-Methylbutanal oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-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 3-Methylbutanal oxime?
The CAS number of 3-Methylbutanal oxime is 626-90-4.
What is the molecular formula of 3-Methylbutanal oxime?
The molecular formula of 3-Methylbutanal oxime is C5H11NO.
What is the molecular weight of 3-Methylbutanal oxime?
The molecular weight of 3-Methylbutanal oxime is 101.08 g/mol.
Where can I buy 3-Methylbutanal oxime?
You can request a quote for 3-Methylbutanal oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutanal oxime?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutanal oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.