1,3-Cyclohexanedione
TL;DR: 1,3-Cyclohexanedione (CAS 504-02-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohexane-1,3-dione
Also Known As: 1,3-Cyclohexanedione, CYCLOHEXANE-1,3-DIONE, Dihydroresorcinol, Hydroresorcinol, 1,3-Cyclohexandione
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.05243 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 Da |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
| SMILES | C1CC(=O)CC(=O)C1 |
| InChIKey | HJSLFCCWAKVHIW-UHFFFAOYSA-N |
Product Description
Applications: 1,3-Cyclohexanedione is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,3-Cyclohexanedione (CAS 504-02-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,3-Cyclohexanedione (CAS 504-02-9) is a heterocyclic building block with the molecular formula C6H8O2 and a molecular weight of 112.05 g/mol. It is also known as 1,3-Cyclohexanedione and CYCLOHEXANE-1,3-DIONE.
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 1,3-Cyclohexanedione
Property Insights of 1,3-Cyclohexanedione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione 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 1,3-Cyclohexanedione?
The CAS number of 1,3-Cyclohexanedione is 504-02-9.
What is the molecular formula of 1,3-Cyclohexanedione?
The molecular formula of 1,3-Cyclohexanedione is C6H8O2.
What is the molecular weight of 1,3-Cyclohexanedione?
The molecular weight of 1,3-Cyclohexanedione is 112.05243 g/mol.
What are the applications of 1,3-Cyclohexanedione?
1,3-Cyclohexanedione is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 1,3-Cyclohexanedione?
You can request a quote for 1,3-Cyclohexanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Cyclohexanedione?
Yes, CoreyChem provides custom synthesis services for 1,3-Cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.