3-Methyl-2,4-hexanedione
TL;DR: 3-Methyl-2,4-hexanedione (CAS 4261-62-5) 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.
3-methylhexane-2,4-dione
Also Known As: 3-Methyl-2,4-hexanedione, 3-methylhexane-2,4-dione, 2,4-Hexanedione, 3-methyl-, 1,3-dimethylacetylacetone, 3-METHYL-2,4-HEXANEDIONE, (+-)-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 0.8 |
| 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 | 127.0 |
Chemical Identifiers
| CAS Number | 4261-62-5 |
|---|---|
| SMILES | CCC(=O)C(C)C(=O)C |
| InChIKey | CAVUEALRYKNYRW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-2,4-hexanedione (CAS 4261-62-5), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 3-methylhexane-2,4-dione.
Chemical Property Profile of 3-Methyl-2,4-hexanedione
Property Insights of 3-Methyl-2,4-hexanedione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-2,4-hexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3-Methyl-2,4-hexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-2,4-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 3-Methyl-2,4-hexanedione?
The CAS number of 3-Methyl-2,4-hexanedione is 4261-62-5.
What is the molecular formula of 3-Methyl-2,4-hexanedione?
The molecular formula of 3-Methyl-2,4-hexanedione is C7H12O2.
What is the molecular weight of 3-Methyl-2,4-hexanedione?
The molecular weight of 3-Methyl-2,4-hexanedione is 128.08 g/mol.
Where can I buy 3-Methyl-2,4-hexanedione?
You can request a quote for 3-Methyl-2,4-hexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-2,4-hexanedione?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-2,4-hexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.