3-Acetylheptane-2,6-dione
TL;DR: 3-Acetylheptane-2,6-dione (CAS 29214-57-1) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetylheptane-2,6-dione
Also Known As: 3-Acetylheptane-2,6-dione, 2,6-Heptanedione,3-acetyl-, 2,6-Heptanedione, 3-acetyl-, 3-Acetyl-2,6-heptanedione, 3-Acetyl-2,6-heptadione
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H14O3 |
| Molecular Weight | 170.0943 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0943 Da |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| SMILES | CC(=O)CCC(C(=O)C)C(=O)C |
| InChIKey | RQZJIXZNJBCGQC-UHFFFAOYSA-N |
Chemical Property Profile of 3-Acetylheptane-2,6-dione
Property Insights of 3-Acetylheptane-2,6-dione
The XLogP value of -0.2 indicates that 3-Acetylheptane-2,6-dione 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, 3-Acetylheptane-2,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetylheptane-2,6-dione 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
What is the CAS number of 3-Acetylheptane-2,6-dione?
The CAS number of 3-Acetylheptane-2,6-dione is 29214-57-1.
What is the molecular formula of 3-Acetylheptane-2,6-dione?
The molecular formula of 3-Acetylheptane-2,6-dione is C9H14O3.
What is the molecular weight of 3-Acetylheptane-2,6-dione?
The molecular weight of 3-Acetylheptane-2,6-dione is 170.0943 g/mol.
Where can I buy 3-Acetylheptane-2,6-dione?
You can request a quote for 3-Acetylheptane-2,6-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Acetylheptane-2,6-dione?
Yes, CoreyChem provides custom synthesis services for 3-Acetylheptane-2,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.