5,5-Dimethyl-2,4-dioxohexanoic acid
TL;DR: 5,5-Dimethyl-2,4-dioxohexanoic acid (CAS 64165-40-8) is a chemical compound with molecular formula C8H12O4 and molecular weight 172.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2,4-dioxohexanoic acid
Also Known As: pivaloylpyruvic acid, 5,5-dimethyl-2,4-dioxohexanoic acid, 5,5-Dimethyl-2,4-dioxo-hexanoic acid, Hexanoic acid, 5,5-dimethyl-2,4-dioxo-, J1.098.687G
| Molecular Formula | C8H12O4 |
|---|---|
| Molecular Weight | 172.07 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.07356 |
| Heavy Atoms | 12 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 64165-40-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)C(=O)O |
| InChIKey | YTSZIESHCFAFLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-Dimethyl-2,4-dioxohexanoic acid (CAS 64165-40-8), with molecular formula C8H12O4 and molecular weight 172.07 g/mol. IUPAC: 5,5-dimethyl-2,4-dioxohexanoic acid.
Chemical Property Profile of 5,5-Dimethyl-2,4-dioxohexanoic acid
Property Insights of 5,5-Dimethyl-2,4-dioxohexanoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2,4-dioxohexanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2,4-dioxohexanoic acid. Following Lipinski's Rule of Five, 5,5-Dimethyl-2,4-dioxohexanoic acid has 1 hydrogen bond donor(s) and 4 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 5,5-Dimethyl-2,4-dioxohexanoic acid?
The CAS number of 5,5-Dimethyl-2,4-dioxohexanoic acid is 64165-40-8.
What is the molecular formula of 5,5-Dimethyl-2,4-dioxohexanoic acid?
The molecular formula of 5,5-Dimethyl-2,4-dioxohexanoic acid is C8H12O4.
What is the molecular weight of 5,5-Dimethyl-2,4-dioxohexanoic acid?
The molecular weight of 5,5-Dimethyl-2,4-dioxohexanoic acid is 172.07 g/mol.
Where can I buy 5,5-Dimethyl-2,4-dioxohexanoic acid?
You can request a quote for 5,5-Dimethyl-2,4-dioxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2,4-dioxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2,4-dioxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.