3,5-Dioxohexanoic acid
TL;DR: 3,5-Dioxohexanoic acid (CAS 2140-49-0) is a chemical compound with molecular formula C6H8O4 and molecular weight 144.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dioxohexanoic acid
Also Known As: Triacetic acid, Triacetate, 3,5-dioxohexanoic acid, Hexanoic acid, 3,5-dioxo-, 3,5-dioxohexanoate
| Molecular Formula | C6H8O4 |
|---|---|
| Molecular Weight | 144.04 g/mol |
| LogP | 0.0093 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.04225 |
| Heavy Atoms | 10 |
| Complexity | 152.58662 |
Chemical Identifiers
| CAS Number | 2140-49-0 |
|---|---|
| SMILES | CC(=O)CC(=O)CC(=O)O |
Product Overview
3,5-Dioxohexanoic acid (CAS 2140-49-0), with molecular formula C6H8O4 and molecular weight 144.04 g/mol. IUPAC: 3,5-dioxohexanoic acid.
Chemical Property Profile of 3,5-Dioxohexanoic acid
Property Insights of 3,5-Dioxohexanoic acid
The XLogP value of 0.0093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dioxohexanoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dioxohexanoic acid. Following Lipinski's Rule of Five, 3,5-Dioxohexanoic acid has 1 hydrogen bond donor(s) and 3 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 3,5-Dioxohexanoic acid?
The CAS number of 3,5-Dioxohexanoic acid is 2140-49-0.
What is the molecular formula of 3,5-Dioxohexanoic acid?
The molecular formula of 3,5-Dioxohexanoic acid is C6H8O4.
What is the molecular weight of 3,5-Dioxohexanoic acid?
The molecular weight of 3,5-Dioxohexanoic acid is 144.04 g/mol.
Where can I buy 3,5-Dioxohexanoic acid?
You can request a quote for 3,5-Dioxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dioxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dioxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.