Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
TL;DR: Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate (CAS 111787-82-7) is a chemical compound with molecular formula C14H15ClO4 and molecular weight 282.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
Also Known As: ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate, Maybridge1_008453, 5-nitrobenzoxazolo-2-thione, Benzenebutanoic acid, a-acetyl-4-chloro-g-oxo-, ethyl ester, ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxo-butanoate
| Molecular Formula | C14H15ClO4 |
|---|---|
| Molecular Weight | 282.07 g/mol |
| LogP | 2.6811 |
| Topological Polar Surface Area | 60.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 282.0659 |
| Heavy Atoms | 19 |
| Complexity | 478.72427 |
Chemical Identifiers
| CAS Number | 111787-82-7 |
|---|---|
| SMILES | CCOC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)C(=O)C |
Product Overview
Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate (CAS 111787-82-7), with molecular formula C14H15ClO4 and molecular weight 282.07 g/mol. IUPAC: ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate.
Chemical Property Profile of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
Property Insights of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate
The XLogP value of 2.6811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate. The TPSA of 60.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate 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-4-(4-chlorophenyl)-4-oxobutanoate?
The CAS number of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate is 111787-82-7.
What is the molecular formula of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate?
The molecular formula of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate is C14H15ClO4.
What is the molecular weight of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate?
The molecular weight of Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate is 282.07 g/mol.
Where can I buy Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate?
You can request a quote for Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate 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-4-(4-chlorophenyl)-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-4-(4-chlorophenyl)-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.