Methyl 3,4-epoxybutyrate
TL;DR: Methyl 3,4-epoxybutyrate (CAS 4509-09-5) is a chemical compound with molecular formula C5H8O3 and molecular weight 116.04734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(oxiran-2-yl)acetate
Also Known As: Methyl 3,4-epoxybutyrate, methyl 2-(oxiran-2-yl)acetate, methyl oxiran-2-ylacetate, methyl 3,4-epoxybutanoate, methyl3,4-epoxybutyrate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H8O3 |
| Molecular Weight | 116.04734 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 116.04734 Da |
| Heavy Atoms | 8 |
| Complexity | 99.0 |
| SMILES | COC(=O)CC1CO1 |
| InChIKey | DQHYBNWZWWGNQB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,4-epoxybutyrate
Property Insights of Methyl 3,4-epoxybutyrate
The XLogP value of -0.3 indicates that Methyl 3,4-epoxybutyrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 3,4-epoxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,4-epoxybutyrate 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
What is the CAS number of Methyl 3,4-epoxybutyrate?
The CAS number of Methyl 3,4-epoxybutyrate is 4509-09-5.
What is the molecular formula of Methyl 3,4-epoxybutyrate?
The molecular formula of Methyl 3,4-epoxybutyrate is C5H8O3.
What is the molecular weight of Methyl 3,4-epoxybutyrate?
The molecular weight of Methyl 3,4-epoxybutyrate is 116.04734 g/mol.
Where can I buy Methyl 3,4-epoxybutyrate?
You can request a quote for Methyl 3,4-epoxybutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,4-epoxybutyrate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,4-epoxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.