3-(4-Acetylphenyl)-2-methylpropanoic acid
TL;DR: 3-(4-Acetylphenyl)-2-methylpropanoic acid (CAS 38121-58-3) is a chemical compound with molecular formula C12H14O3 and molecular weight 206.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-acetylphenyl)-2-methylpropanoic acid
Also Known As: 3-(4-acetylphenyl)-2-methylpropanoic acid, 2-Methyl-3-(4-acetylphenyl)propionic acid, J3.478.017J
| Molecular Formula | C12H14O3 |
|---|---|
| Molecular Weight | 206.09 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 206.0943 |
| Heavy Atoms | 15 |
| Complexity | 239.0 |
Chemical Identifiers
| CAS Number | 38121-58-3 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)C(=O)C)C(=O)O |
| InChIKey | AKQUMDSKAOMFAD-UHFFFAOYSA-N |
Product Overview
3-(4-Acetylphenyl)-2-methylpropanoic acid (CAS 38121-58-3), with molecular formula C12H14O3 and molecular weight 206.09 g/mol. IUPAC: 3-(4-acetylphenyl)-2-methylpropanoic acid.
Chemical Property Profile of 3-(4-Acetylphenyl)-2-methylpropanoic acid
Property Insights of 3-(4-Acetylphenyl)-2-methylpropanoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Acetylphenyl)-2-methylpropanoic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 3-(4-Acetylphenyl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Acetylphenyl)-2-methylpropanoic 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-(4-Acetylphenyl)-2-methylpropanoic acid?
The CAS number of 3-(4-Acetylphenyl)-2-methylpropanoic acid is 38121-58-3.
What is the molecular formula of 3-(4-Acetylphenyl)-2-methylpropanoic acid?
The molecular formula of 3-(4-Acetylphenyl)-2-methylpropanoic acid is C12H14O3.
What is the molecular weight of 3-(4-Acetylphenyl)-2-methylpropanoic acid?
The molecular weight of 3-(4-Acetylphenyl)-2-methylpropanoic acid is 206.09 g/mol.
Where can I buy 3-(4-Acetylphenyl)-2-methylpropanoic acid?
You can request a quote for 3-(4-Acetylphenyl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Acetylphenyl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Acetylphenyl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.