2-Acetyl-1,3-cyclohexanedione
TL;DR: 2-Acetyl-1,3-cyclohexanedione (CAS 88041-67-2) is a chemical compound with molecular formula C8H10O3 and molecular weight 154.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetylcyclohexane-1,3-dione
Also Known As: 2-Acetyl-1,3-cyclohexanedione, 2-acetylcyclohexane-1,3-dione, 2-Acetyl-cyclohexane-1,3-dione, 1,3-Cyclohexanedione, 2-acetyl-, 1-acetyl-2,6-dioxocyclohexane
| Molecular Formula | C8H10O3 |
|---|---|
| Molecular Weight | 154.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.06299 |
| Heavy Atoms | 11 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 88041-67-2 |
|---|---|
| SMILES | CC(=O)C1C(=O)CCCC1=O |
| InChIKey | CHNXDYRMRBQOEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-1,3-cyclohexanedione (CAS 88041-67-2), with molecular formula C8H10O3 and molecular weight 154.06 g/mol. IUPAC: 2-acetylcyclohexane-1,3-dione.
Chemical Property Profile of 2-Acetyl-1,3-cyclohexanedione
Property Insights of 2-Acetyl-1,3-cyclohexanedione
The XLogP value of -0.1 indicates that 2-Acetyl-1,3-cyclohexanedione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 51.2 Ų, 2-Acetyl-1,3-cyclohexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-1,3-cyclohexanedione has 0 hydrogen bond donor(s) and 3 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-Acetyl-1,3-cyclohexanedione?
The CAS number of 2-Acetyl-1,3-cyclohexanedione is 88041-67-2.
What is the molecular formula of 2-Acetyl-1,3-cyclohexanedione?
The molecular formula of 2-Acetyl-1,3-cyclohexanedione is C8H10O3.
What is the molecular weight of 2-Acetyl-1,3-cyclohexanedione?
The molecular weight of 2-Acetyl-1,3-cyclohexanedione is 154.06 g/mol.
Where can I buy 2-Acetyl-1,3-cyclohexanedione?
You can request a quote for 2-Acetyl-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.