二乙烯酮
TL;DR: 二乙烯酮 (CAS 674-82-8) is a chemical compound with molecular formula C4H4O2 and molecular weight 84.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二乙烯酮
4-methylideneoxetan-2-one
Also Known As: Diketene, ACETYL KETENE, 4-Methylene-2-oxetanone, Ethenone, dimer, 2-Oxetanone, 4-methylene-
| Molecular Formula | C4H4O2 |
|---|---|
| Molecular Weight | 84.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 84.021126 |
| Heavy Atoms | 6 |
| Complexity | 104.0 |
| Melting Point | -6.5 °C |
| Boiling Point | 127 °C |
| Density | 1.0877 g/cu cm at 20 °C |
| Solubility | Very slightly soluble in water in which it decomposes slowly |
| Flash Point | 33.9 °C (NFPA, 2010) |
| Vapor Pressure | 10.7 [mmHg] |
| Refractive Index | 1.4342 at 23 °C |
Chemical Identifiers
| CAS Number | 674-82-8 |
|---|---|
| SMILES | C=C1CC(=O)O1 |
| InChIKey | WASQWSOJHCZDFK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二乙烯酮 (CAS 674-82-8), with molecular formula C4H4O2 and molecular weight 84.02 g/mol. IUPAC: 4-methylideneoxetan-2-one.
Chemical Property Profile of 二乙烯酮
Property Insights of 二乙烯酮
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二乙烯酮. With a topological polar surface area (TPSA) of 26.3 Ų, 二乙烯酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二乙烯酮 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 二乙烯酮?
The CAS number of 二乙烯酮 is 674-82-8.
What is the molecular formula of 二乙烯酮?
The molecular formula of 二乙烯酮 is C4H4O2.
What is the molecular weight of 二乙烯酮?
The molecular weight of 二乙烯酮 is 84.02 g/mol.
Where can I buy 二乙烯酮?
You can request a quote for 二乙烯酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二乙烯酮?
Yes, KEHONG BIO provides custom synthesis services for 二乙烯酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.