2,3-Epoxy-1,4-benzoquinone
TL;DR: 2,3-Epoxy-1,4-benzoquinone (CAS 18502-58-4) is a chemical compound with molecular formula C6H4O3 and molecular weight 124.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione
Also Known As: 2,3-Epoxy-p-benzoquinone, 7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione, 2,3-Epoxy-1,4-benzoquinone, 7-Oxabicyclo(4.1.0)hept-3-ene-2,5-dione, RefChem:81901
| Molecular Formula | C6H4O3 |
|---|---|
| Molecular Weight | 124.02 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 46.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.016045 |
| Heavy Atoms | 9 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 18502-58-4 |
|---|---|
| SMILES | C1=CC(=O)C2C(C1=O)O2 |
| InChIKey | XQUCGJMSQRPJEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Epoxy-1,4-benzoquinone (CAS 18502-58-4), with molecular formula C6H4O3 and molecular weight 124.02 g/mol. IUPAC: 7-oxabicyclo[4.1.0]hept-3-ene-2,5-dione.
Chemical Property Profile of 2,3-Epoxy-1,4-benzoquinone
Property Insights of 2,3-Epoxy-1,4-benzoquinone
The XLogP value of -0.4 indicates that 2,3-Epoxy-1,4-benzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.7 Ų, 2,3-Epoxy-1,4-benzoquinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Epoxy-1,4-benzoquinone has 0 hydrogen bond donor(s) and 3 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 2,3-Epoxy-1,4-benzoquinone?
The CAS number of 2,3-Epoxy-1,4-benzoquinone is 18502-58-4.
What is the molecular formula of 2,3-Epoxy-1,4-benzoquinone?
The molecular formula of 2,3-Epoxy-1,4-benzoquinone is C6H4O3.
What is the molecular weight of 2,3-Epoxy-1,4-benzoquinone?
The molecular weight of 2,3-Epoxy-1,4-benzoquinone is 124.02 g/mol.
Where can I buy 2,3-Epoxy-1,4-benzoquinone?
You can request a quote for 2,3-Epoxy-1,4-benzoquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Epoxy-1,4-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Epoxy-1,4-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.