2,6-Heptanedione
TL;DR: 2,6-Heptanedione (CAS 13505-34-5) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
heptane-2,6-dione
Also Known As: 2,6-Heptanedione, Heptane-2,6-dione, 2,6-Heptadione, 1,3-Diacetylpropane, heptan-2,6-dione
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 13505-34-5 |
|---|---|
| SMILES | CC(=O)CCCC(=O)C |
| InChIKey | VAIFYHGFLAPCON-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Heptanedione (CAS 13505-34-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: heptane-2,6-dione.
Chemical Property Profile of 2,6-Heptanedione
Property Insights of 2,6-Heptanedione
The XLogP value of -0.1 indicates that 2,6-Heptanedione 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, 2,6-Heptanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-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
Frequently Asked Questions
What is the CAS number of 2,6-Heptanedione?
The CAS number of 2,6-Heptanedione is 13505-34-5.
What is the molecular formula of 2,6-Heptanedione?
The molecular formula of 2,6-Heptanedione is C7H12O2.
What is the molecular weight of 2,6-Heptanedione?
The molecular weight of 2,6-Heptanedione is 128.08 g/mol.
Where can I buy 2,6-Heptanedione?
You can request a quote for 2,6-Heptanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Heptanedione?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Heptanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.