2,5-Heptanedione
TL;DR: 2,5-Heptanedione (CAS 1703-51-1) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptane-2,5-dione
Also Known As: heptane-2,5-dione, 2,5-HEPTANEDIONE, Heptan-2,5-dione, 3,6-Heptanedione, 25-HEPTANEDIONE
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 116.0 |
| SMILES | CCC(=O)CCC(=O)C |
| InChIKey | HGRGPAAXHOTBAM-UHFFFAOYSA-N |
Chemical Property Profile of 2,5-Heptanedione
Property Insights of 2,5-Heptanedione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Heptanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,5-Heptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Heptanedione 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 2,5-Heptanedione?
The CAS number of 2,5-Heptanedione is 1703-51-1.
What is the molecular formula of 2,5-Heptanedione?
The molecular formula of 2,5-Heptanedione is C7H12O2.
What is the molecular weight of 2,5-Heptanedione?
The molecular weight of 2,5-Heptanedione is 128.08372 g/mol.
Where can I buy 2,5-Heptanedione?
You can request a quote for 2,5-Heptanedione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,5-Heptanedione?
Yes, CoreyChem provides custom synthesis services for 2,5-Heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.