1,2-苯醌
TL;DR: 1,2-苯醌 (CAS 583-63-1) is a chemical compound with molecular formula C6H4O2 and molecular weight 108.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-苯醌
cyclohexa-3,5-diene-1,2-dione
Also Known As: 1,2-Benzoquinone, o-Benzoquinone, 2-Benzoquinone, o-Quinone, catechol quinone
| Molecular Formula | C6H4O2 |
|---|---|
| Molecular Weight | 108.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.021126 |
| Heavy Atoms | 8 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 583-63-1 |
|---|---|
| SMILES | C1=CC(=O)C(=O)C=C1 |
| InChIKey | WOAHJDHKFWSLKE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-苯醌 (CAS 583-63-1), with molecular formula C6H4O2 and molecular weight 108.02 g/mol. IUPAC: cyclohexa-3,5-diene-1,2-dione.
Chemical Property Profile of 1,2-苯醌
Property Insights of 1,2-苯醌
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-苯醌. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2-苯醌 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-苯醌 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 1,2-苯醌?
The CAS number of 1,2-苯醌 is 583-63-1.
What is the molecular formula of 1,2-苯醌?
The molecular formula of 1,2-苯醌 is C6H4O2.
What is the molecular weight of 1,2-苯醌?
The molecular weight of 1,2-苯醌 is 108.02 g/mol.
Where can I buy 1,2-苯醌?
You can request a quote for 1,2-苯醌 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-苯醌?
Yes, KEHONG BIO provides custom synthesis services for 1,2-苯醌 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.