(E)-acrylaldehydeoxime
TL;DR: (E)-acrylaldehydeoxime (CAS 28051-67-4) is a chemical compound with molecular formula C3H5NO and molecular weight 71.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-prop-2-enylidenehydroxylamine
Also Known As: Acrolein oxime, vinylnitrone, 2-propenal oxime, (E)-acrylaldehydeoxime, 2-Propenal, oxime (9CI)
| Molecular Formula | C3H5NO |
|---|---|
| Molecular Weight | 71.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 71.03712 |
| Heavy Atoms | 5 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 28051-67-4 |
|---|---|
| SMILES | C=CC=NO |
| InChIKey | KMNIXISXZFPRDC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E)-acrylaldehydeoxime (CAS 28051-67-4), with molecular formula C3H5NO and molecular weight 71.04 g/mol. IUPAC: N-prop-2-enylidenehydroxylamine.
Chemical Property Profile of (E)-acrylaldehydeoxime
Property Insights of (E)-acrylaldehydeoxime
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-acrylaldehydeoxime. With a topological polar surface area (TPSA) of 32.6 Ų, (E)-acrylaldehydeoxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-acrylaldehydeoxime 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 (E)-acrylaldehydeoxime?
The CAS number of (E)-acrylaldehydeoxime is 28051-67-4.
What is the molecular formula of (E)-acrylaldehydeoxime?
The molecular formula of (E)-acrylaldehydeoxime is C3H5NO.
What is the molecular weight of (E)-acrylaldehydeoxime?
The molecular weight of (E)-acrylaldehydeoxime is 71.04 g/mol.
Where can I buy (E)-acrylaldehydeoxime?
You can request a quote for (E)-acrylaldehydeoxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-acrylaldehydeoxime?
Yes, KEHONG BIO provides custom synthesis services for (E)-acrylaldehydeoxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.