乙内酯
TL;DR: 乙内酯 (CAS 42879-41-4) is a chemical compound with molecular formula C2H2O2 and molecular weight 58.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙内酯
oxiran-2-one
Also Known As: Oxiran-2-one, Acetolactone, Oxiranone, 2-Oxiranone, carbon dioxide
| Molecular Formula | C2H2O2 |
|---|---|
| Molecular Weight | 58.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 29.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 58.005478 |
| Heavy Atoms | 4 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 42879-41-4 |
|---|---|
| SMILES | C1C(=O)O1 |
| InChIKey | HZSIFDFXFAXICF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙内酯 (CAS 42879-41-4), with molecular formula C2H2O2 and molecular weight 58.01 g/mol. IUPAC: oxiran-2-one.
Chemical Property Profile of 乙内酯
Property Insights of 乙内酯
The XLogP value of -0.1 indicates that 乙内酯 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, 乙内酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙内酯 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 乙内酯?
The CAS number of 乙内酯 is 42879-41-4.
What is the molecular formula of 乙内酯?
The molecular formula of 乙内酯 is C2H2O2.
What is the molecular weight of 乙内酯?
The molecular weight of 乙内酯 is 58.01 g/mol.
Where can I buy 乙内酯?
You can request a quote for 乙内酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙内酯?
Yes, KEHONG BIO provides custom synthesis services for 乙内酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.