Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate
TL;DR: Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate (CAS 6938-63-2) is a chemical compound with molecular formula C21H22O4 and molecular weight 338.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate
Also Known As: ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate, Benzenebutanoic acid, a-acetyl-g-oxo-a-(phenylmethyl)-, ethyl ester
| Molecular Formula | C21H22O4 |
|---|---|
| Molecular Weight | 338.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 338.1518 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 6938-63-2 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CC=CC=C1)(CC(=O)C2=CC=CC=C2)C(=O)C |
| InChIKey | ZGRWQNOZOVODNL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate (CAS 6938-63-2), with molecular formula C21H22O4 and molecular weight 338.15 g/mol. IUPAC: ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate.
Chemical Property Profile of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate
Property Insights of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate
The XLogP value of 3.5 indicates that Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate has 0 hydrogen bond donor(s) and 4 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 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate?
The CAS number of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate is 6938-63-2.
What is the molecular formula of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate?
The molecular formula of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate is C21H22O4.
What is the molecular weight of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate?
The molecular weight of Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate is 338.15 g/mol.
Where can I buy Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate?
You can request a quote for Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-2-benzyl-4-oxo-4-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.