Methyl 4-oxopent-2-enoate
TL;DR: Methyl 4-oxopent-2-enoate (CAS 2833-24-1) is a chemical compound with molecular formula C6H8O3 and molecular weight 128.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxopent-2-enoate
Also Known As: methyl 4-oxopent-2-enoate, Acetylacrylic Acid Methyl Ester, methyl-4-oxo-pent-2-enoate, ACETYLACRYLICACIDMETHYLESTER, 2-Pentenoic acid, 4-oxo-, methyl ester, (Z)-
| Molecular Formula | C6H8O3 |
|---|---|
| Molecular Weight | 128.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.04735 |
| Heavy Atoms | 9 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 2833-24-1 |
|---|---|
| SMILES | CC(=O)C=CC(=O)OC |
| InChIKey | GLVNZYODMKSEPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-oxopent-2-enoate (CAS 2833-24-1), with molecular formula C6H8O3 and molecular weight 128.05 g/mol. IUPAC: methyl 4-oxopent-2-enoate.
Chemical Property Profile of Methyl 4-oxopent-2-enoate
Property Insights of Methyl 4-oxopent-2-enoate
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-oxopent-2-enoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-oxopent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxopent-2-enoate has 0 hydrogen bond donor(s) and 3 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 Methyl 4-oxopent-2-enoate?
The CAS number of Methyl 4-oxopent-2-enoate is 2833-24-1.
What is the molecular formula of Methyl 4-oxopent-2-enoate?
The molecular formula of Methyl 4-oxopent-2-enoate is C6H8O3.
What is the molecular weight of Methyl 4-oxopent-2-enoate?
The molecular weight of Methyl 4-oxopent-2-enoate is 128.05 g/mol.
Where can I buy Methyl 4-oxopent-2-enoate?
You can request a quote for Methyl 4-oxopent-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-oxopent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxopent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.