Oxepin epoxide
TL;DR: Oxepin epoxide (CAS 52748-31-9) is a chemical compound with molecular formula C6H6O2 and molecular weight 110.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-dioxabicyclo[5.1.0]octa-2,5-diene
Also Known As: Oxepin epoxide, 2,3-Epoxyoxepin, sym-Oxepin oxide, 4,8-dioxabicyclo[5.1.0]octa-2,5-diene, 4,8-Dioxabicyclo(5.1.0)octa-2,5-diene
| Molecular Formula | C6H6O2 |
|---|---|
| Molecular Weight | 110.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 21.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 110.03678 |
| Heavy Atoms | 8 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 52748-31-9 |
|---|---|
| SMILES | C1=COC=CC2C1O2 |
| InChIKey | AYOXANKVWRPSRJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxepin epoxide (CAS 52748-31-9), with molecular formula C6H6O2 and molecular weight 110.04 g/mol. IUPAC: 4,8-dioxabicyclo[5.1.0]octa-2,5-diene.
Chemical Property Profile of Oxepin epoxide
Property Insights of Oxepin epoxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxepin epoxide. With a topological polar surface area (TPSA) of 21.8 Ų, Oxepin epoxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxepin epoxide 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 Oxepin epoxide?
The CAS number of Oxepin epoxide is 52748-31-9.
What is the molecular formula of Oxepin epoxide?
The molecular formula of Oxepin epoxide is C6H6O2.
What is the molecular weight of Oxepin epoxide?
The molecular weight of Oxepin epoxide is 110.04 g/mol.
Where can I buy Oxepin epoxide?
You can request a quote for Oxepin epoxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxepin epoxide?
Yes, KEHONG BIO provides custom synthesis services for Oxepin epoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.