Benzene oxide
TL;DR: Benzene oxide (CAS 1488-25-1) is a chemical compound with molecular formula C6H6O and molecular weight 94.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxabicyclo[4.1.0]hepta-2,4-diene
Also Known As: Benzene oxide, Benzeneoxide, Dihydroepoxybenzene, Arene oxide, 7-oxabicyclo[4.1.0]hepta-2,4-diene
| Molecular Formula | C6H6O |
|---|---|
| Molecular Weight | 94.04 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.04186 |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 1488-25-1 |
|---|---|
| SMILES | C1=CC2C(O2)C=C1 |
| InChIKey | WDFZWSZNOFELJY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene oxide (CAS 1488-25-1), with molecular formula C6H6O and molecular weight 94.04 g/mol. IUPAC: 7-oxabicyclo[4.1.0]hepta-2,4-diene.
Chemical Property Profile of Benzene oxide
Property Insights of Benzene oxide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene oxide. With a topological polar surface area (TPSA) of 12.5 Ų, Benzene oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene oxide has 0 hydrogen bond donor(s) and 1 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 Benzene oxide?
The CAS number of Benzene oxide is 1488-25-1.
What is the molecular formula of Benzene oxide?
The molecular formula of Benzene oxide is C6H6O.
What is the molecular weight of Benzene oxide?
The molecular weight of Benzene oxide is 94.04 g/mol.
Where can I buy Benzene oxide?
You can request a quote for Benzene oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene oxide?
Yes, KEHONG BIO provides custom synthesis services for Benzene oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.