Ethyl 2-(4-methylphenyl)-2-oxoacetate
TL;DR: Ethyl 2-(4-methylphenyl)-2-oxoacetate (CAS 5524-56-1) is a chemical compound with molecular formula C11H12O3 and molecular weight 192.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylphenyl)-2-oxoacetate
Also Known As: Ethyl 4-methylbenzoylformate, ethyl 2-(4-methylphenyl)-2-oxoacetate, Ethyl 2-oxo-2-(p-tolyl)acetate, ethyl 2-oxo-2-p-tolylacetate, ethyl 4-tolylglyoxylate
| Molecular Formula | C11H12O3 |
|---|---|
| Molecular Weight | 192.08 g/mol |
| LogP | 1.74082 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 192.07864 |
| Heavy Atoms | 14 |
| Complexity | 338.0552 |
Chemical Identifiers
| CAS Number | 5524-56-1 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CC=C(C=C1)C |
Product Overview
Ethyl 2-(4-methylphenyl)-2-oxoacetate (CAS 5524-56-1), with molecular formula C11H12O3 and molecular weight 192.08 g/mol. IUPAC: ethyl 2-(4-methylphenyl)-2-oxoacetate.
Chemical Property Profile of Ethyl 2-(4-methylphenyl)-2-oxoacetate
Property Insights of Ethyl 2-(4-methylphenyl)-2-oxoacetate
The XLogP value of 1.74082 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-methylphenyl)-2-oxoacetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 2-(4-methylphenyl)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-(4-methylphenyl)-2-oxoacetate 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 2-(4-methylphenyl)-2-oxoacetate?
The CAS number of Ethyl 2-(4-methylphenyl)-2-oxoacetate is 5524-56-1.
What is the molecular formula of Ethyl 2-(4-methylphenyl)-2-oxoacetate?
The molecular formula of Ethyl 2-(4-methylphenyl)-2-oxoacetate is C11H12O3.
What is the molecular weight of Ethyl 2-(4-methylphenyl)-2-oxoacetate?
The molecular weight of Ethyl 2-(4-methylphenyl)-2-oxoacetate is 192.08 g/mol.
Where can I buy Ethyl 2-(4-methylphenyl)-2-oxoacetate?
You can request a quote for Ethyl 2-(4-methylphenyl)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-methylphenyl)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-methylphenyl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.