5-Methyl-2,3-hexanedione
TL;DR: 5-Methyl-2,3-hexanedione (CAS 13706-86-0) 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.
5-methylhexane-2,3-dione
Also Known As: 5-Methylhexane-2,3-dione, 5-Methyl-2,3-hexanedione, Acetyl isovaleryl, Acetylisovaleryl, Acetylisopentanoyl
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
| Density | 0.908 (22°) |
| Solubility | slightly soluble in water; miscible with alcohol, propylene glycol, and glycerol |
| Refractive Index | 1.408-1.414 |
Chemical Identifiers
| CAS Number | 13706-86-0 |
|---|---|
| SMILES | CC(C)CC(=O)C(=O)C |
| InChIKey | PQCLJXVUAWLNSV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2,3-hexanedione (CAS 13706-86-0), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 5-methylhexane-2,3-dione.
Chemical Property Profile of 5-Methyl-2,3-hexanedione
Property Insights of 5-Methyl-2,3-hexanedione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2,3-hexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-Methyl-2,3-hexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2,3-hexanedione 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 5-Methyl-2,3-hexanedione?
The CAS number of 5-Methyl-2,3-hexanedione is 13706-86-0.
What is the molecular formula of 5-Methyl-2,3-hexanedione?
The molecular formula of 5-Methyl-2,3-hexanedione is C7H12O2.
What is the molecular weight of 5-Methyl-2,3-hexanedione?
The molecular weight of 5-Methyl-2,3-hexanedione is 128.08 g/mol.
Where can I buy 5-Methyl-2,3-hexanedione?
You can request a quote for 5-Methyl-2,3-hexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2,3-hexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2,3-hexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.