4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid
TL;DR: 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid (CAS 15880-01-0) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-(2,4,6-trimethylphenyl)butanoic acid
Also Known As: 4-(2,4,6-TRIMETHYLPHENYL)-4-OXOBUTYRIC ACID, 4-oxo-4-(2,4,6-trimethylphenyl)butanoic acid, 4-mesityl-4-oxobutanoic acid, Benzenebutanoic acid,2,4,6-trimethyl-g-oxo-, 3-(2,4,6-Trimethylbenzoyl)-propionic acid
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 15880-01-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)C)C(=O)CCC(=O)O)C |
| InChIKey | QWOIQKXIBFKZKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid (CAS 15880-01-0), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: 4-oxo-4-(2,4,6-trimethylphenyl)butanoic acid.
Chemical Property Profile of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid
Property Insights of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4,6-Trimethylphenyl)-4-oxobutyric 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 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid?
The CAS number of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid is 15880-01-0.
What is the molecular formula of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid?
The molecular formula of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid is C13H16O3.
What is the molecular weight of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid?
The molecular weight of 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid is 220.11 g/mol.
Where can I buy 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid?
You can request a quote for 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4,6-Trimethylphenyl)-4-oxobutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.