1,2-Cyclohexanedione
TL;DR: 1,2-Cyclohexanedione (CAS 765-87-7) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexane-1,2-dione
Also Known As: 1,2-CYCLOHEXANEDIONE, Cyclohexane-1,2-dione, 1,2-Dioxocyclohexane, Cyclohexanedione, dihydrocatechol
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 110.0 |
| Melting Point | 38 - 40 °C |
| Boiling Point | 193.00 to 195.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 765-87-7 |
|---|---|
| SMILES | C1CCC(=O)C(=O)C1 |
| InChIKey | OILAIQUEIWYQPH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Cyclohexanedione (CAS 765-87-7), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: cyclohexane-1,2-dione.
Chemical Property Profile of 1,2-Cyclohexanedione
Property Insights of 1,2-Cyclohexanedione
The XLogP value of -0.1 indicates that 1,2-Cyclohexanedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 34.1 Ų, 1,2-Cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-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
Frequently Asked Questions
What is the CAS number of 1,2-Cyclohexanedione?
The CAS number of 1,2-Cyclohexanedione is 765-87-7.
What is the molecular formula of 1,2-Cyclohexanedione?
The molecular formula of 1,2-Cyclohexanedione is C6H8O2.
What is the molecular weight of 1,2-Cyclohexanedione?
The molecular weight of 1,2-Cyclohexanedione is 112.05 g/mol.
Where can I buy 1,2-Cyclohexanedione?
You can request a quote for 1,2-Cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.