Methyl 4-oxobut-2-enoate
TL;DR: Methyl 4-oxobut-2-enoate (CAS 7327-99-3) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxobut-2-enoate
Also Known As: Methyl 4-oxobut-2-enoate, methyl 3-formylacrylate, methyl 4-oxo-butenoate, Methyl 4-oxo-2-butenoate, Methyl4-oxobut-2-enoate
| Molecular Formula | C5H6O3 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 7327-99-3 |
|---|---|
| SMILES | COC(=O)C=CC=O |
| InChIKey | CRBJVPSOOMDSPT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 4-oxobut-2-enoate (CAS 7327-99-3), with molecular formula C5H6O3 and molecular weight 114.03 g/mol. IUPAC: methyl 4-oxobut-2-enoate.
Chemical Property Profile of Methyl 4-oxobut-2-enoate
Property Insights of Methyl 4-oxobut-2-enoate
The XLogP value of -0.2 indicates that Methyl 4-oxobut-2-enoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 4-oxobut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-oxobut-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-oxobut-2-enoate?
The CAS number of Methyl 4-oxobut-2-enoate is 7327-99-3.
What is the molecular formula of Methyl 4-oxobut-2-enoate?
The molecular formula of Methyl 4-oxobut-2-enoate is C5H6O3.
What is the molecular weight of Methyl 4-oxobut-2-enoate?
The molecular weight of Methyl 4-oxobut-2-enoate is 114.03 g/mol.
Where can I buy Methyl 4-oxobut-2-enoate?
You can request a quote for Methyl 4-oxobut-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-oxobut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-oxobut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.