4-Isopropylbenzoic Acid
TL;DR: 4-Isopropylbenzoic Acid (CAS 536-66-3) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-ylbenzoic acid
Also Known As: 4-Isopropylbenzoic acid, Cuminic acid, CUMIC ACID, p-Isopropylbenzoic acid, p-cumic acid
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
| Melting Point | 117 - 118 °C |
| Solubility | 0.151 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 536-66-3 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)C(=O)O |
| InChIKey | CKMXAIVXVKGGFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylbenzoic Acid (CAS 536-66-3), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: 4-propan-2-ylbenzoic acid.
Chemical Property Profile of 4-Isopropylbenzoic Acid
Property Insights of 4-Isopropylbenzoic Acid
The XLogP value of 3.4 indicates that 4-Isopropylbenzoic 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-Isopropylbenzoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylbenzoic 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 4-Isopropylbenzoic Acid?
The CAS number of 4-Isopropylbenzoic Acid is 536-66-3.
What is the molecular formula of 4-Isopropylbenzoic Acid?
The molecular formula of 4-Isopropylbenzoic Acid is C10H12O2.
What is the molecular weight of 4-Isopropylbenzoic Acid?
The molecular weight of 4-Isopropylbenzoic Acid is 164.08 g/mol.
Where can I buy 4-Isopropylbenzoic Acid?
You can request a quote for 4-Isopropylbenzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylbenzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylbenzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.