1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-
TL;DR: 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- (CAS 4587-25-1) is a chemical compound with molecular formula C8Br2N2O2 and molecular weight 313.83264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile
Also Known As: C8Br2N2O2, NCIOpen2_009970, 2,3-Dibromo-5,6-dicyano-p-benzoquinone, 2,3-dibromo-5,6-dicyanobenzoquinone, 2,3-dibromo-5.6-dicyanobenzoquinone
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8Br2N2O2 |
| Molecular Weight | 313.83264 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.8306 Da |
| Heavy Atoms | 14 |
| Complexity | 464.0 |
| SMILES | C(#N)C1=C(C(=O)C(=C(C1=O)Br)Br)C#N |
| InChIKey | HDEXQZFQDZGFLQ-UHFFFAOYSA-N |
Product Description
Applications: 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- (CAS 4587-25-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is a heterocyclic building block identified by CAS number 4587-25-1 and the molecular formula C8Br2N2O2 and a molecular weight of 313.83 g/mol. It is also known as C8Br2N2O2 and NCIOpen2_009970.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-
Property Insights of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- 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
What is the CAS number of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
The CAS number of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is 4587-25-1.
What is the molecular formula of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
The molecular formula of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is C8Br2N2O2.
What is the molecular weight of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
The molecular weight of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is 313.83264 g/mol.
What are the applications of 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as polymer chemistry and functional materials synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem...
Where can I buy 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
You can request a quote for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
Yes, CoreyChem provides custom synthesis services for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.