Diepoxybutane
TL;DR: Diepoxybutane (CAS 1464-53-5) 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.
2-(oxiran-2-yl)oxirane
Also Known As: Diepoxybutane, 2,2'-Bioxirane, 1,3-Butadiene diepoxide, Dioxybutadiene, Bioxirane
| Molecular Formula | C4H6O2 |
|---|---|
| Molecular Weight | 86.04 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 86.03678 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
| Melting Point | 3.9 °C |
| Boiling Point | 143.9 °C at 760 mmHg |
| Density | 1.1157 at 20.0 °C |
| Solubility | greater than or equal to 100 mg/mL at 67.1 °F (NTP, 1992) |
| Flash Point | 45.6 °C |
| Vapor Pressure | 3.9 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 1464-53-5 |
|---|---|
| SMILES | C1C(O1)C2CO2 |
| InChIKey | ZFIVKAOQEXOYFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diepoxybutane (CAS 1464-53-5), with molecular formula C4H6O2 and molecular weight 86.04 g/mol. IUPAC: 2-(oxiran-2-yl)oxirane.
Chemical Property Profile of Diepoxybutane
Property Insights of Diepoxybutane
The XLogP value of -0.5 indicates that Diepoxybutane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 25.1 Ų, Diepoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diepoxybutane 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 Diepoxybutane?
The CAS number of Diepoxybutane is 1464-53-5.
What is the molecular formula of Diepoxybutane?
The molecular formula of Diepoxybutane is C4H6O2.
What is the molecular weight of Diepoxybutane?
The molecular weight of Diepoxybutane is 86.04 g/mol.
Where can I buy Diepoxybutane?
You can request a quote for Diepoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diepoxybutane?
Yes, KEHONG BIO provides custom synthesis services for Diepoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.