Cyclohexa-1,3-diene dioxide
TL;DR: Cyclohexa-1,3-diene dioxide (CAS 277-06-5) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8-dioxatricyclo[5.1.0.02,4]octane
Also Known As: 1,2:3,4-Diepoxycyclohexane, Cyclohexa-1,3-diene dioxide, cyclohexadiene dioxide, cyclohexa-1,3-diene diepoxide, 3,8-dioxatricyclo[5.1.0.02,4]octane
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 25.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 277-06-5 |
|---|---|
| SMILES | C1CC2C(O2)C3C1O3 |
| InChIKey | APXNRLPBXNJAGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclohexa-1,3-diene dioxide (CAS 277-06-5), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 3,8-dioxatricyclo[5.1.0.02,4]octane.
Chemical Property Profile of Cyclohexa-1,3-diene dioxide
Property Insights of Cyclohexa-1,3-diene dioxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexa-1,3-diene dioxide. With a topological polar surface area (TPSA) of 25.1 Ų, Cyclohexa-1,3-diene dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexa-1,3-diene dioxide 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 Cyclohexa-1,3-diene dioxide?
The CAS number of Cyclohexa-1,3-diene dioxide is 277-06-5.
What is the molecular formula of Cyclohexa-1,3-diene dioxide?
The molecular formula of Cyclohexa-1,3-diene dioxide is C6H8O2.
What is the molecular weight of Cyclohexa-1,3-diene dioxide?
The molecular weight of Cyclohexa-1,3-diene dioxide is 112.05 g/mol.
Where can I buy Cyclohexa-1,3-diene dioxide?
You can request a quote for Cyclohexa-1,3-diene dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexa-1,3-diene dioxide?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexa-1,3-diene dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.