Ethyl 4-isopropylphenylacetate
TL;DR: Ethyl 4-isopropylphenylacetate (CAS 14062-21-6) is a chemical compound with molecular formula C13H18O2 and molecular weight 206.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-propan-2-ylphenyl)acetate
Also Known As: Ethyl 4-isopropylphenylacetate, ethyl(4-isopropylphenyl)acetate, ethyl 2-(4-propan-2-ylphenyl)acetate, (4-Isopropylphenyl)acetic acid ethyl ester, Ethyl2-(4-isopropylphenyl)acetate
| Molecular Formula | C13H18O2 |
|---|---|
| Molecular Weight | 206.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 206.13068 |
| Heavy Atoms | 15 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 14062-21-6 |
|---|---|
| SMILES | CCOC(=O)CC1=CC=C(C=C1)C(C)C |
| InChIKey | LFMYKNVKLMQSJV-UHFFFAOYSA-N |
Product Overview
Ethyl 4-isopropylphenylacetate (CAS 14062-21-6), with molecular formula C13H18O2 and molecular weight 206.13 g/mol. IUPAC: ethyl 2-(4-propan-2-ylphenyl)acetate.
Chemical Property Profile of Ethyl 4-isopropylphenylacetate
Property Insights of Ethyl 4-isopropylphenylacetate
The XLogP value of 3.4 indicates that Ethyl 4-isopropylphenylacetate 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 4-isopropylphenylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-isopropylphenylacetate 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 4-isopropylphenylacetate?
The CAS number of Ethyl 4-isopropylphenylacetate is 14062-21-6.
What is the molecular formula of Ethyl 4-isopropylphenylacetate?
The molecular formula of Ethyl 4-isopropylphenylacetate is C13H18O2.
What is the molecular weight of Ethyl 4-isopropylphenylacetate?
The molecular weight of Ethyl 4-isopropylphenylacetate is 206.13 g/mol.
Where can I buy Ethyl 4-isopropylphenylacetate?
You can request a quote for Ethyl 4-isopropylphenylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-isopropylphenylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-isopropylphenylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.