butanal O-methyloxime
TL;DR: butanal O-methyloxime (CAS 31376-98-4) 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-methoxybutan-1-imine
Also Known As: Butanal, o-methyloxime, butanal O-methyloxime, ButyraldehydeO-methyloxime, butyraldehyde O-methyl-oxime, Butyraldehyde O-methyl oxime
| Molecular Formula | C5H11NO |
|---|---|
| Molecular Weight | 101.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 21.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 101.08406 |
| Heavy Atoms | 7 |
| Complexity | 52.0 |
Chemical Identifiers
| CAS Number | 31376-98-4 |
|---|---|
| SMILES | CCCC=NOC |
| InChIKey | BMDFNHAUSSAITP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
butanal O-methyloxime (CAS 31376-98-4), with molecular formula C5H11NO and molecular weight 101.08 g/mol. IUPAC: N-methoxybutan-1-imine.
Chemical Property Profile of butanal O-methyloxime
Property Insights of butanal O-methyloxime
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for butanal O-methyloxime. With a topological polar surface area (TPSA) of 21.6 Ų, butanal O-methyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, butanal O-methyloxime has 0 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 butanal O-methyloxime?
The CAS number of butanal O-methyloxime is 31376-98-4.
What is the molecular formula of butanal O-methyloxime?
The molecular formula of butanal O-methyloxime is C5H11NO.
What is the molecular weight of butanal O-methyloxime?
The molecular weight of butanal O-methyloxime is 101.08 g/mol.
Where can I buy butanal O-methyloxime?
You can request a quote for butanal O-methyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for butanal O-methyloxime?
Yes, KEHONG BIO provides custom synthesis services for butanal O-methyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.