(11C)Acetoacetic acid
TL;DR: (11C)Acetoacetic acid (CAS 53286-22-9) is a chemical compound with molecular formula C4H6O3 and molecular weight 101.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo(111C)butanoic acid
Also Known As: acetoacetic acid, [11C]Acetoacetate, 11C-acetoacetate, (11C)Acetoacetic acid, 3-oxobutanoic acid
| Molecular Formula | C4H6O3 |
|---|---|
| Molecular Weight | 101.04 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 101.04313 |
| Heavy Atoms | 7 |
| Complexity | 95.0 |
Chemical Identifiers
| CAS Number | 53286-22-9 |
|---|---|
| SMILES | CC(=O)C[11C](=O)O |
| InChIKey | WDJHALXBUFZDSR-NUTRPMROSA-N |
Product Overview
(11C)Acetoacetic acid (CAS 53286-22-9), with molecular formula C4H6O3 and molecular weight 101.04 g/mol. IUPAC: 3-oxo(111C)butanoic acid.
Chemical Property Profile of (11C)Acetoacetic acid
Property Insights of (11C)Acetoacetic acid
The XLogP value of -0.4 indicates that (11C)Acetoacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, (11C)Acetoacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (11C)Acetoacetic 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 (11C)Acetoacetic acid?
The CAS number of (11C)Acetoacetic acid is 53286-22-9.
What is the molecular formula of (11C)Acetoacetic acid?
The molecular formula of (11C)Acetoacetic acid is C4H6O3.
What is the molecular weight of (11C)Acetoacetic acid?
The molecular weight of (11C)Acetoacetic acid is 101.04 g/mol.
Where can I buy (11C)Acetoacetic acid?
You can request a quote for (11C)Acetoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (11C)Acetoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for (11C)Acetoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.