Ethanone, 1-oxiranyl-
TL;DR: Ethanone, 1-oxiranyl- (CAS 4401-11-0) is a chemical compound with molecular formula C4H6O2 and molecular weight 86.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(oxiran-2-yl)ethanone
Also Known As: 2-Acetyloxirane, 1-Oxiranylethanone, Ethanone, 1-oxiranyl-, 1-(oxiran-2-yl)ethanone, acetyloxirane
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 4401-11-0 |
|---|---|
| SMILES | CC(=O)C1CO1 |
| InChIKey | YBWJKTAELMMCHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanone, 1-oxiranyl- (CAS 4401-11-0), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: 1-(oxiran-2-yl)ethanone.
Chemical Property Profile of Ethanone, 1-oxiranyl-
Property Insights of Ethanone, 1-oxiranyl-
The XLogP value of -0.4 indicates that Ethanone, 1-oxiranyl- 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, Ethanone, 1-oxiranyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-oxiranyl- 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 Ethanone, 1-oxiranyl-?
The CAS number of Ethanone, 1-oxiranyl- is 4401-11-0.
What is the molecular formula of Ethanone, 1-oxiranyl-?
The molecular formula of Ethanone, 1-oxiranyl- is C4H6O2.
What is the molecular weight of Ethanone, 1-oxiranyl-?
The molecular weight of Ethanone, 1-oxiranyl- is 86.04 g/mol.
Where can I buy Ethanone, 1-oxiranyl-?
You can request a quote for Ethanone, 1-oxiranyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-oxiranyl-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-oxiranyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.