3-(4-Methylphenyl)butanoic acid
TL;DR: 3-(4-Methylphenyl)butanoic acid (CAS 39027-57-1) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-methylphenyl)butanoic acid
Also Known As: 3-(4-methylphenyl)butanoic acid, Thalrugosamine, Curcumic acid, 3-(p-Tolyl)butanoic acid, 3-p-tolyl-butyric acid
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 Da |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
| SMILES | CC1=CC=C(C=C1)C(C)CC(=O)O |
| InChIKey | ZWWPDLKCTGONCK-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Methylphenyl)butanoic acid
Property Insights of 3-(4-Methylphenyl)butanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-(4-Methylphenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)butanoic acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Methylphenyl)butanoic acid?
The CAS number of 3-(4-Methylphenyl)butanoic acid is 39027-57-1.
What is the molecular formula of 3-(4-Methylphenyl)butanoic acid?
The molecular formula of 3-(4-Methylphenyl)butanoic acid is C11H14O2.
What is the molecular weight of 3-(4-Methylphenyl)butanoic acid?
The molecular weight of 3-(4-Methylphenyl)butanoic acid is 178.09938 g/mol.
Where can I buy 3-(4-Methylphenyl)butanoic acid?
You can request a quote for 3-(4-Methylphenyl)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Methylphenyl)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Methylphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.