![Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate structure](/static/products/5495/54957-66-3.webp)
Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate
TL;DR: Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate (CAS 54957-66-3) is a chemical compound with molecular formula C14H18O3 and molecular weight 234.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-oxo-3-(4-propan-2-ylphenyl)propanoate
Also Known As: Ethyl 3-(4-Isopropylphenyl)-3-oxopropanoate, ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate, Ethyl p-isopropylbenzoylacetate, ethyl 3-oxo-3-(4-propan-2-ylphenyl)propanoate, 3-(4-Isopropyl-phenyl)-3-oxo-propionic acid ethyl ester
| Molecular Formula | C14H18O3 |
|---|---|
| Molecular Weight | 234.13 g/mol |
| LogP | 2.9459 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 234.1256 |
| Heavy Atoms | 17 |
| Complexity | 390.4333 |
Chemical Identifiers
| CAS Number | 54957-66-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC=C(C=C1)C(C)C |
Product Overview
Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate (CAS 54957-66-3), with molecular formula C14H18O3 and molecular weight 234.13 g/mol. IUPAC: ethyl 3-oxo-3-(4-propan-2-ylphenyl)propanoate.
Chemical Property Profile of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate
Property Insights of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate
The XLogP value of 2.9459 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate has 0 hydrogen bond donor(s) and 3 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 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate?
The CAS number of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate is 54957-66-3.
What is the molecular formula of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate?
The molecular formula of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate is C14H18O3.
What is the molecular weight of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate?
The molecular weight of Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate is 234.13 g/mol.
Where can I buy Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate?
You can request a quote for Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxo-3-[4-(propan-2-yl)phenyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.