1-(2-Methyloxiran-2-yl)ethanone
TL;DR: 1-(2-Methyloxiran-2-yl)ethanone (CAS 4587-00-2) is a chemical compound with molecular formula C5H8O2 and molecular weight 100.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-methyloxiran-2-yl)ethanone
Also Known As: 1-(2-methyloxiran-2-yl)ethanone, 2-acetyl-2-methyloxirane, 1-(2-methyloxiran-2-yl)ethan-1-one, 1-(2-methyloxiranyl)ethanone, 3-methyl-3,4-epoxy-2-butanone
| Molecular Formula | C5H8O2 |
|---|---|
| Molecular Weight | 100.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 100.05243 |
| Heavy Atoms | 7 |
| Complexity | 109.0 |
Chemical Identifiers
| CAS Number | 4587-00-2 |
|---|---|
| SMILES | CC(=O)C1(CO1)C |
| InChIKey | MQUWXOWAAZHBSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2-Methyloxiran-2-yl)ethanone (CAS 4587-00-2), with molecular formula C5H8O2 and molecular weight 100.05 g/mol. IUPAC: 1-(2-methyloxiran-2-yl)ethanone.
Chemical Property Profile of 1-(2-Methyloxiran-2-yl)ethanone
Property Insights of 1-(2-Methyloxiran-2-yl)ethanone
The XLogP value of -0.2 indicates that 1-(2-Methyloxiran-2-yl)ethanone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 29.6 Ų, 1-(2-Methyloxiran-2-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Methyloxiran-2-yl)ethanone 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
Frequently Asked Questions
What is the CAS number of 1-(2-Methyloxiran-2-yl)ethanone?
The CAS number of 1-(2-Methyloxiran-2-yl)ethanone is 4587-00-2.
What is the molecular formula of 1-(2-Methyloxiran-2-yl)ethanone?
The molecular formula of 1-(2-Methyloxiran-2-yl)ethanone is C5H8O2.
What is the molecular weight of 1-(2-Methyloxiran-2-yl)ethanone?
The molecular weight of 1-(2-Methyloxiran-2-yl)ethanone is 100.05 g/mol.
Where can I buy 1-(2-Methyloxiran-2-yl)ethanone?
You can request a quote for 1-(2-Methyloxiran-2-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Methyloxiran-2-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Methyloxiran-2-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.