2,3-Dicyano-p-benzoquinone
TL;DR: 2,3-Dicyano-p-benzoquinone (CAS 4622-04-2) is a chemical compound with molecular formula C8H2N2O2 and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Also Known As: 2,3-Dicyano-p-benzoquinone, 2,3-DICYANO-1,4-BENZOQUINONE, 2,3-Dicyano-p-quinone, 3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile, 1,4-Cyclohexadiene-1,2-dicarbonitrile, 3,6-dioxo-
| Molecular Formula | C8H2N2O2 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.01163 |
| Heavy Atoms | 12 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 4622-04-2 |
|---|---|
| SMILES | C1=CC(=O)C(=C(C1=O)C#N)C#N |
| InChIKey | DNXUGBMARDFRGG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dicyano-p-benzoquinone (CAS 4622-04-2), with molecular formula C8H2N2O2 and molecular weight 158.01 g/mol. IUPAC: 3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile.
Chemical Property Profile of 2,3-Dicyano-p-benzoquinone
Property Insights of 2,3-Dicyano-p-benzoquinone
The XLogP value of -0.1 indicates that 2,3-Dicyano-p-benzoquinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dicyano-p-benzoquinone. Following Lipinski's Rule of Five, 2,3-Dicyano-p-benzoquinone has 0 hydrogen bond donor(s) and 4 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-Dicyano-p-benzoquinone?
The CAS number of 2,3-Dicyano-p-benzoquinone is 4622-04-2.
What is the molecular formula of 2,3-Dicyano-p-benzoquinone?
The molecular formula of 2,3-Dicyano-p-benzoquinone is C8H2N2O2.
What is the molecular weight of 2,3-Dicyano-p-benzoquinone?
The molecular weight of 2,3-Dicyano-p-benzoquinone is 158.01 g/mol.
Where can I buy 2,3-Dicyano-p-benzoquinone?
You can request a quote for 2,3-Dicyano-p-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-Dicyano-p-benzoquinone?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dicyano-p-benzoquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.