4-Isopropylphenylacetic acid
TL;DR: 4-Isopropylphenylacetic acid (CAS 4476-28-2) 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-propan-2-ylphenyl)acetic acid
Also Known As: 4-Isopropylphenylacetic acid, 2-(4-Isopropylphenyl)acetic acid, Vallaroside, (4-isopropylphenyl)acetic acid, p-Cymene-7-carboxylic acid
| Molecular Formula | C11H14O2 |
|---|---|
| Molecular Weight | 178.10 g/mol |
| LogP | 2.6 |
| 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 | 167.0 |
Chemical Identifiers
| CAS Number | 4476-28-2 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)CC(=O)O |
| InChIKey | RERBQXVRXYCGLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Isopropylphenylacetic acid (CAS 4476-28-2), with molecular formula C11H14O2 and molecular weight 178.10 g/mol. IUPAC: 2-(4-propan-2-ylphenyl)acetic acid.
Chemical Property Profile of 4-Isopropylphenylacetic acid
Property Insights of 4-Isopropylphenylacetic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Isopropylphenylacetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Isopropylphenylacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Isopropylphenylacetic 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-Isopropylphenylacetic acid?
The CAS number of 4-Isopropylphenylacetic acid is 4476-28-2.
What is the molecular formula of 4-Isopropylphenylacetic acid?
The molecular formula of 4-Isopropylphenylacetic acid is C11H14O2.
What is the molecular weight of 4-Isopropylphenylacetic acid?
The molecular weight of 4-Isopropylphenylacetic acid is 178.10 g/mol.
Where can I buy 4-Isopropylphenylacetic acid?
You can request a quote for 4-Isopropylphenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Isopropylphenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Isopropylphenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.