2-Oxiranol, 2-acetate
TL;DR: 2-Oxiranol, 2-acetate (CAS 6954-85-4) is a chemical compound with molecular formula C4H6O3 and molecular weight 102.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxiran-2-yl acetate
Also Known As: Acetoxyoxirane, acetoxy-oxirane, Oxiranol, acetate, Acetoxyoxiran, oxiran-2-yl acetate
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 102.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 102.03169 |
| Heavy Atoms | 7 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 6954-85-4 |
|---|---|
| SMILES | CC(=O)OC1CO1 |
| InChIKey | PTLPNBKWIDVXHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxiranol, 2-acetate (CAS 6954-85-4), with molecular formula C4H6O3 and molecular weight 102.03 g/mol. IUPAC: oxiran-2-yl acetate.
Chemical Property Profile of 2-Oxiranol, 2-acetate
Property Insights of 2-Oxiranol, 2-acetate
The XLogP value of -0.1 indicates that 2-Oxiranol, 2-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.8 Ų, 2-Oxiranol, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxiranol, 2-acetate 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
Frequently Asked Questions
What is the CAS number of 2-Oxiranol, 2-acetate?
The CAS number of 2-Oxiranol, 2-acetate is 6954-85-4.
What is the molecular formula of 2-Oxiranol, 2-acetate?
The molecular formula of 2-Oxiranol, 2-acetate is C4H6O3.
What is the molecular weight of 2-Oxiranol, 2-acetate?
The molecular weight of 2-Oxiranol, 2-acetate is 102.03 g/mol.
Where can I buy 2-Oxiranol, 2-acetate?
You can request a quote for 2-Oxiranol, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxiranol, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxiranol, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.