Isobutyl 3,4-epoxybutyrate
TL;DR: Isobutyl 3,4-epoxybutyrate (CAS 111058-63-0) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl 2-(oxiran-2-yl)acetate
Also Known As: ISOBUTYL 3,4-EPOXYBUTYRATE, IVAX, isobutyl 3,4-epoxybutanoate, 2-methylpropyl 2-(oxiran-2-yl)acetate, 2-methylpropyl 3,4-epoxybutanoate
Technical Specifications
| Molecular Formula | C8H14O3 |
| Molecular Weight | 158.0943 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0943 Da |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
| SMILES | CC(C)COC(=O)CC1CO1 |
| InChIKey | KLQCEQLRGRMLBI-UHFFFAOYSA-N |
Chemical Property Profile of Isobutyl 3,4-epoxybutyrate
Property Insights of Isobutyl 3,4-epoxybutyrate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isobutyl 3,4-epoxybutyrate. With a topological polar surface area (TPSA) of 38.8 Ų, Isobutyl 3,4-epoxybutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isobutyl 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 Isobutyl 3,4-epoxybutyrate?
The CAS number of Isobutyl 3,4-epoxybutyrate is 111058-63-0.
What is the molecular formula of Isobutyl 3,4-epoxybutyrate?
The molecular formula of Isobutyl 3,4-epoxybutyrate is C8H14O3.
What is the molecular weight of Isobutyl 3,4-epoxybutyrate?
The molecular weight of Isobutyl 3,4-epoxybutyrate is 158.0943 g/mol.
Where can I buy Isobutyl 3,4-epoxybutyrate?
You can request a quote for Isobutyl 3,4-epoxybutyrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isobutyl 3,4-epoxybutyrate?
Yes, CoreyChem provides custom synthesis services for Isobutyl 3,4-epoxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.