3-(4-tert-Butylphenyl)-2-methylpropanoic acid
TL;DR: 3-(4-tert-Butylphenyl)-2-methylpropanoic acid (CAS 66735-04-4) is a chemical compound with molecular formula C14H20O2 and molecular weight 220.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-2-methylpropanoic acid
Also Known As: 3-(4-tert-Butylphenyl)-2-methylpropanoic acid, Fenpropidin metabolite, Propanoic acid, 2-methyl-3-[4-t-butyl]phenyl-, CGA 289274, 3-(4-tert-Butylphenyl)-2-methylpropionic Acid
| Molecular Formula | C14H20O2 |
|---|---|
| Molecular Weight | 220.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.14633 |
| Heavy Atoms | 16 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 66735-04-4 |
|---|---|
| SMILES | CC(CC1=CC=C(C=C1)C(C)(C)C)C(=O)O |
| InChIKey | DWZYELZGJMFEMJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4-tert-Butylphenyl)-2-methylpropanoic acid (CAS 66735-04-4), with molecular formula C14H20O2 and molecular weight 220.15 g/mol. IUPAC: 3-(4-tert-butylphenyl)-2-methylpropanoic acid.
Chemical Property Profile of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid
Property Insights of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid
The XLogP value of 3.9 indicates that 3-(4-tert-Butylphenyl)-2-methylpropanoic 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, 3-(4-tert-Butylphenyl)-2-methylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-tert-Butylphenyl)-2-methylpropanoic 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 3-(4-tert-Butylphenyl)-2-methylpropanoic acid?
The CAS number of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid is 66735-04-4.
What is the molecular formula of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid?
The molecular formula of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid is C14H20O2.
What is the molecular weight of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid?
The molecular weight of 3-(4-tert-Butylphenyl)-2-methylpropanoic acid is 220.15 g/mol.
Where can I buy 3-(4-tert-Butylphenyl)-2-methylpropanoic acid?
You can request a quote for 3-(4-tert-Butylphenyl)-2-methylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-tert-Butylphenyl)-2-methylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-tert-Butylphenyl)-2-methylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.