4-Isobutylbenzoic acid
TL;DR: 4-Isobutylbenzoic acid (CAS 38861-88-0) 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.
4-(2-methylpropyl)benzoic acid
Also Known As: 4-Isobutylbenzoic acid, 4-(2-methylpropyl)benzoic acid, 4-Isobutylbenzoicacid, Benzoic acid, 4-(2-methylpropyl)-, p-isobutylbenzoic acid
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H14O2 |
| Molecular Weight | 178.09938 g/mol |
| XLogP | 3.7 |
| 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 | 167.0 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)O |
| InChIKey | VUBBCFWWSKOHTH-UHFFFAOYSA-N |
Chemical Property Profile of 4-Isobutylbenzoic acid
Property Insights of 4-Isobutylbenzoic acid
The XLogP value of 3.7 indicates that 4-Isobutylbenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Isobutylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isobutylbenzoic 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 4-Isobutylbenzoic acid?
The CAS number of 4-Isobutylbenzoic acid is 38861-88-0.
What is the molecular formula of 4-Isobutylbenzoic acid?
The molecular formula of 4-Isobutylbenzoic acid is C11H14O2.
What is the molecular weight of 4-Isobutylbenzoic acid?
The molecular weight of 4-Isobutylbenzoic acid is 178.09938 g/mol.
Where can I buy 4-Isobutylbenzoic acid?
You can request a quote for 4-Isobutylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Isobutylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Isobutylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.