Β-丙內酯
TL;DR: Β-丙內酯 (CAS 57-57-8) is a chemical compound with molecular formula C3H4O2 and molecular weight 72.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Β-丙內酯
oxetan-2-one
Also Known As: beta-propiolactone, Propiolactone, 2-Oxetanone, Oxetan-2-one, Betaprone
| Molecular Formula | C3H4O2 |
|---|---|
| Molecular Weight | 72.02 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 72.021126 |
| Heavy Atoms | 5 |
| Complexity | 57.0 |
| Melting Point | -32.8 °C |
| Boiling Point | 162.2 °C at 760 mmHg decomposes |
| Density | 1.146 at 20.0 °C |
| Solubility | 10 to 50 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | 70.0 °C |
| Vapor Pressure | 3.4 mmHg at 25.0 °C |
| Refractive Index | 1.413 @ 20 °C; 1.4110 @ 25 °C |
Chemical Identifiers
| CAS Number | 57-57-8 |
|---|---|
| SMILES | C1COC1=O |
| InChIKey | VEZXCJBBBCKRPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Β-丙內酯 (CAS 57-57-8), with molecular formula C3H4O2 and molecular weight 72.02 g/mol. IUPAC: oxetan-2-one.
Chemical Property Profile of Β-丙內酯
Property Insights of Β-丙內酯
The XLogP value of -0.2 indicates that Β-丙內酯 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, Β-丙內酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Β-丙內酯 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 Β-丙內酯?
The CAS number of Β-丙內酯 is 57-57-8.
What is the molecular formula of Β-丙內酯?
The molecular formula of Β-丙內酯 is C3H4O2.
What is the molecular weight of Β-丙內酯?
The molecular weight of Β-丙內酯 is 72.02 g/mol.
Where can I buy Β-丙內酯?
You can request a quote for Β-丙內酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Β-丙內酯?
Yes, KEHONG BIO provides custom synthesis services for Β-丙內酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.