2-(4-Methylphenyl)butanoic acid
TL;DR: 2-(4-Methylphenyl)butanoic acid (CAS 68692-82-0) is a chemical compound with molecular formula C11H14O2 and molecular weight 178.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)butanoic acid
Also Known As: 2-(4-methylphenyl)butanoic acid, 2-(p-Tolyl)butanoic acid, 2-(p-Tolyl)butyric acid, 2-(4-methylphenyl)butanoicacid, BUTYRIC ACID, 2-(p-TOLYL)-
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 178.09938 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 68692-82-0 |
|---|---|
| SMILES | CCC(C1=CC=C(C=C1)C)C(=O)O |
| InChIKey | RTJXQMWCVNVYIW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Methylphenyl)butanoic acid (CAS 68692-82-0), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-(4-methylphenyl)butanoic acid.
Chemical Property Profile of 2-(4-Methylphenyl)butanoic acid
Property Insights of 2-(4-Methylphenyl)butanoic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methylphenyl)butanoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(4-Methylphenyl)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(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
Frequently Asked Questions
What is the CAS number of 2-(4-Methylphenyl)butanoic acid?
The CAS number of 2-(4-Methylphenyl)butanoic acid is 68692-82-0.
What is the molecular formula of 2-(4-Methylphenyl)butanoic acid?
The molecular formula of 2-(4-Methylphenyl)butanoic acid is C11H14O2.
What is the molecular weight of 2-(4-Methylphenyl)butanoic acid?
The molecular weight of 2-(4-Methylphenyl)butanoic acid is 178.10 g/mol.
Where can I buy 2-(4-Methylphenyl)butanoic acid?
You can request a quote for 2-(4-Methylphenyl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Methylphenyl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylphenyl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.