2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile
TL;DR: 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile (CAS 4655-79-2) is a chemical compound with molecular formula C8Cl2N2O2 and molecular weight 225.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile
Also Known As: 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile, 2,5-Dichloro-3,6-dicyano-1,4-benzoquinone, 1,4-cyclohexadiene-1,4-dicarbonitrile, 2,5-dichloro-3,6-dioxo-, 2,5-Dichloro-3,6-dioxo-1,4-cyclohexadiene-1,4-dicarbonitrile, RefChem:247324
| Molecular Formula | C8Cl2N2O2 |
|---|---|
| Molecular Weight | 225.93 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.93369 |
| Heavy Atoms | 14 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 4655-79-2 |
|---|---|
| SMILES | C(#N)C1=C(C(=O)C(=C(C1=O)Cl)C#N)Cl |
| InChIKey | GLLMIZVPZWPYGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile (CAS 4655-79-2), with molecular formula C8Cl2N2O2 and molecular weight 225.93 g/mol. IUPAC: 2,5-dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile.
Chemical Property Profile of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile
Property Insights of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile. Following Lipinski's Rule of Five, 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile 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 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile?
The CAS number of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile is 4655-79-2.
What is the molecular formula of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile?
The molecular formula of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile is C8Cl2N2O2.
What is the molecular weight of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile?
The molecular weight of 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile is 225.93 g/mol.
Where can I buy 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile?
You can request a quote for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dichloro-3,6-dioxocyclohexa-1,4-diene-1,4-dicarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.