Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
TL;DR: Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate (CAS 41283-72-1) is a chemical compound with molecular formula C15H22O2 and molecular weight 234.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-(2-methylpropyl)phenyl]propanoate
Also Known As: ethyl 2-(4-isobutylphenyl)propanoate, Ibuprofen ethyl ester, Ibuprofen ethyl, Ethyl 2-(4-isobutylphenyl)propionate, Ibuprofen, ethyl ester
| Molecular Formula | C15H22O2 |
|---|---|
| Molecular Weight | 234.16 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.16199 |
| Heavy Atoms | 17 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 41283-72-1 |
|---|---|
| SMILES | CCOC(=O)C(C)C1=CC=C(C=C1)CC(C)C |
| InChIKey | HXTFUVWJFLDLJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate (CAS 41283-72-1), with molecular formula C15H22O2 and molecular weight 234.16 g/mol. IUPAC: ethyl 2-[4-(2-methylpropyl)phenyl]propanoate.
Chemical Property Profile of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
Property Insights of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate
The XLogP value of 4.2 indicates that Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate has 0 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 Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The CAS number of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate is 41283-72-1.
What is the molecular formula of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The molecular formula of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate is C15H22O2.
What is the molecular weight of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate?
The molecular weight of Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate is 234.16 g/mol.
Where can I buy Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate?
You can request a quote for Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-methyl-4-(2-methylpropyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.