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 313.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C8Br2N2O2 |
|---|---|
| Molecular Weight | 313.83 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 315.8306 |
| Heavy Atoms | 14 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 4587-25-1 |
|---|---|
| SMILES | C(#N)C1=C(C(=O)C(=C(C1=O)Br)Br)C#N |
| InChIKey | HDEXQZFQDZGFLQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo- (CAS 4587-25-1), with molecular formula C8Br2N2O2 and molecular weight 313.83 g/mol. IUPAC: 4,5-dibromo-3,6-dioxocyclohexa-1,4-diene-1,2-dicarbonitrile.
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
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 313.83 g/mol.
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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene-1,2-dicarbonitrile, 4,5-dibromo-3,6-dioxo-?
Yes, KEHONG BIO 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.