3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid
TL;DR: 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid (CAS 134098-68-3) is a chemical compound with molecular formula C15H20O4 and molecular weight 264.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid
Also Known As: 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid, 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid, 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutanoic acid, 3-[2-(ACETYLOXY)-4,6-DIMETHYLPHENYL]-3-METHYLBUTANOIC ACID, 3-(2-Acetoxy-4,6-dimethylphenyl)-3,3-dimethylpropanoic acid
| Molecular Formula | C15H20O4 |
|---|---|
| Molecular Weight | 264.14 g/mol |
| LogP | 2.98104 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.13617 |
| Heavy Atoms | 19 |
| Complexity | 515.122 |
Chemical Identifiers
| CAS Number | 134098-68-3 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)OC(=O)C)C(C)(C)CC(=O)O)C |
Product Overview
3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid (CAS 134098-68-3), with molecular formula C15H20O4 and molecular weight 264.14 g/mol. IUPAC: 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoic acid.
Chemical Property Profile of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid
Property Insights of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid
The XLogP value of 2.98104 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid. Following Lipinski's Rule of Five, 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric 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-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid?
The CAS number of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid is 134098-68-3.
What is the molecular formula of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid?
The molecular formula of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid is C15H20O4.
What is the molecular weight of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid?
The molecular weight of 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid is 264.14 g/mol.
Where can I buy 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid?
You can request a quote for 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Acetoxy-4,6-dimethylphenyl)-3-methylbutyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.