3,4-Epoxy-2-pentanone
TL;DR: 3,4-Epoxy-2-pentanone (CAS 17257-79-3) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-methyloxiran-2-yl)ethanone
Also Known As: 3,4-epoxy-2-pentanone, 1-(3-methyloxiran-2-yl)ethanone, 2-Pentanone, 3,4-epoxy-, 2-Pentanone,3,4-epoxy, 2-Acetyl-3-methyloxirane
Technical Specifications
| Molecular Formula | C5H8O2 |
| Molecular Weight | 100.05243 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.05243 Da |
| Heavy Atoms | 7 |
| Complexity | 98.0 |
| SMILES | CC1C(O1)C(=O)C |
| InChIKey | IAHUKWSQLBRAIN-UHFFFAOYSA-N |
Chemical Property Profile of 3,4-Epoxy-2-pentanone
Property Insights of 3,4-Epoxy-2-pentanone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Epoxy-2-pentanone. With a topological polar surface area (TPSA) of 29.6 Ų, 3,4-Epoxy-2-pentanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxy-2-pentanone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3,4-Epoxy-2-pentanone?
The CAS number of 3,4-Epoxy-2-pentanone is 17257-79-3.
What is the molecular formula of 3,4-Epoxy-2-pentanone?
The molecular formula of 3,4-Epoxy-2-pentanone is C5H8O2.
What is the molecular weight of 3,4-Epoxy-2-pentanone?
The molecular weight of 3,4-Epoxy-2-pentanone is 100.05243 g/mol.
Where can I buy 3,4-Epoxy-2-pentanone?
You can request a quote for 3,4-Epoxy-2-pentanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,4-Epoxy-2-pentanone?
Yes, CoreyChem provides custom synthesis services for 3,4-Epoxy-2-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.