2,3-Octanedione
TL;DR: 2,3-Octanedione (CAS 585-25-1) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octane-2,3-dione
Also Known As: Octane-2,3-dione, 2,3-OCTANEDIONE, Octanedione, 2,3-Octandione, Acetyl caproyl
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
| Boiling Point | 169.00 to 170.00 °C. @ 760.00 mm Hg |
| Density | 0.905-0.915 |
| Solubility | Soluble in non-polar solvents |
| Refractive Index | 1.419-1.424 |
Chemical Identifiers
| CAS Number | 585-25-1 |
|---|---|
| SMILES | CCCCCC(=O)C(=O)C |
| InChIKey | XCBBNTFYSLADTO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Octanedione (CAS 585-25-1), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: octane-2,3-dione.
Chemical Property Profile of 2,3-Octanedione
Property Insights of 2,3-Octanedione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Octanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,3-Octanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Octanedione 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 2,3-Octanedione?
The CAS number of 2,3-Octanedione is 585-25-1.
What is the molecular formula of 2,3-Octanedione?
The molecular formula of 2,3-Octanedione is C8H14O2.
What is the molecular weight of 2,3-Octanedione?
The molecular weight of 2,3-Octanedione is 142.10 g/mol.
Where can I buy 2,3-Octanedione?
You can request a quote for 2,3-Octanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Octanedione?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Octanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.