4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one
TL;DR: 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one (CAS 494-72-4) is a chemical compound with molecular formula C12H8O2 and molecular weight 184.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-oxocyclohexa-2,5-dien-1-ylidene)cyclohexa-2,5-dien-1-one
Also Known As: Diphenoquinone, 4,4'-Biphenyldione, 4,4'-Diphenoquinone, Diphenochinon, Propofol Impurity 21
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H8O2 |
| Molecular Weight | 184.05243 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.05243 Da |
| Heavy Atoms | 14 |
| Complexity | 365.0 |
| SMILES | C1=CC(=O)C=CC1=C2C=CC(=O)C=C2 |
| InChIKey | DDTHMESPCBONDT-UHFFFAOYSA-N |
Product Description
Applications: 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one (CAS 494-72-4) is a polymer intermediate with the molecular formula C12H8O2 and a molecular weight of 184.05 g/mol. Synonyms include Diphenoquinone and 4,4'-Biphenyldione.
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 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one
Property Insights of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one. With a topological polar surface area (TPSA) of 34.1 Ų, 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one 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
What is the CAS number of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
The CAS number of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one is 494-72-4.
What is the molecular formula of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
The molecular formula of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one is C12H8O2.
What is the molecular weight of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
The molecular weight of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one is 184.05243 g/mol.
What are the applications of 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one is used in polymer chemistry and functional materials synthesis, as well as polymer additives and plastics compounding. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog...
Where can I buy 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
You can request a quote for 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one?
Yes, CoreyChem provides custom synthesis services for 4-(4-Oxo-2,5-cyclohexadien-1-ylidene)-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.