Ethylacrolein
TL;DR: Ethylacrolein (CAS 922-63-4) is a chemical compound with molecular formula C5H8O and molecular weight 84.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylidenebutanal
Also Known As: 2-Ethylacrolein, 2-Methylenebutanal, 2-Ethylpropenal, Ethacrolein, 2-methylidenebutanal
| Molecular Formula | C5H8O |
|---|---|
| Molecular Weight | 84.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 84.05752 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
| Vapor Pressure | 36.4 [mmHg] |
Chemical Identifiers
| CAS Number | 922-63-4 |
|---|---|
| SMILES | CCC(=C)C=O |
| InChIKey | GMLDCZYTIPCVMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethylacrolein (CAS 922-63-4), with molecular formula C5H8O and molecular weight 84.06 g/mol. IUPAC: 2-methylidenebutanal.
Chemical Property Profile of Ethylacrolein
Property Insights of Ethylacrolein
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethylacrolein. With a topological polar surface area (TPSA) of 17.1 Ų, Ethylacrolein exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethylacrolein has 0 hydrogen bond donor(s) and 1 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 Ethylacrolein?
The CAS number of Ethylacrolein is 922-63-4.
What is the molecular formula of Ethylacrolein?
The molecular formula of Ethylacrolein is C5H8O.
What is the molecular weight of Ethylacrolein?
The molecular weight of Ethylacrolein is 84.06 g/mol.
Where can I buy Ethylacrolein?
You can request a quote for Ethylacrolein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethylacrolein?
Yes, KEHONG BIO provides custom synthesis services for Ethylacrolein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.