2-Ethylbutyraldehyde oxime
TL;DR: 2-Ethylbutyraldehyde oxime (CAS 5399-18-8) is a chemical compound with molecular formula C6H13NO and molecular weight 115.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-ethylbutylidene)hydroxylamine
Also Known As: 2-ethylbutanal oxime, Peramivir Impurity 98, Butanal, 2-ethyl-,oxime, 2-ethylbutyraldehyde oxime, N-(2-ethylbutylidene)hydroxylamine
| Molecular Formula | C6H13NO |
|---|---|
| Molecular Weight | 115.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 115.09972 |
| Heavy Atoms | 8 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 5399-18-8 |
|---|---|
| SMILES | CCC(CC)C=NO |
| InChIKey | FQRMVGKAQSXDPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylbutyraldehyde oxime (CAS 5399-18-8), with molecular formula C6H13NO and molecular weight 115.10 g/mol. IUPAC: N-(2-ethylbutylidene)hydroxylamine.
Chemical Property Profile of 2-Ethylbutyraldehyde oxime
Property Insights of 2-Ethylbutyraldehyde oxime
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylbutyraldehyde oxime. With a topological polar surface area (TPSA) of 32.6 Ų, 2-Ethylbutyraldehyde oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylbutyraldehyde 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-Ethylbutyraldehyde oxime?
The CAS number of 2-Ethylbutyraldehyde oxime is 5399-18-8.
What is the molecular formula of 2-Ethylbutyraldehyde oxime?
The molecular formula of 2-Ethylbutyraldehyde oxime is C6H13NO.
What is the molecular weight of 2-Ethylbutyraldehyde oxime?
The molecular weight of 2-Ethylbutyraldehyde oxime is 115.10 g/mol.
Where can I buy 2-Ethylbutyraldehyde oxime?
You can request a quote for 2-Ethylbutyraldehyde oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylbutyraldehyde oxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylbutyraldehyde oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.