Ethyl 2,4-dioxo-4-(p-tolyl)butanoate
TL;DR: Ethyl 2,4-dioxo-4-(p-tolyl)butanoate (CAS 5814-37-9) is a chemical compound with molecular formula C13H14O4 and molecular weight 234.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate
Also Known As: Ethyl 2,4-dioxo-4-(p-tolyl)butanoate, Ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate, ethyl 2.4-dioxo-4-p-tolylbutanoate, Ethyl 2,4-dioxo-4-p-tolylbutanoate, Ethyl 24-dioxo-4-(p-tolyl)butanoate
| Molecular Formula | C13H14O4 |
|---|---|
| Molecular Weight | 234.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 234.0892 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 5814-37-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=C(C=C1)C |
| InChIKey | QQMYOPVSVNPECO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,4-dioxo-4-(p-tolyl)butanoate (CAS 5814-37-9), with molecular formula C13H14O4 and molecular weight 234.09 g/mol. IUPAC: ethyl 4-(4-methylphenyl)-2,4-dioxobutanoate.
Chemical Property Profile of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate
Property Insights of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,4-dioxo-4-(p-tolyl)butanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2,4-dioxo-4-(p-tolyl)butanoate. Following Lipinski's Rule of Five, Ethyl 2,4-dioxo-4-(p-tolyl)butanoate 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 2,4-dioxo-4-(p-tolyl)butanoate?
The CAS number of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate is 5814-37-9.
What is the molecular formula of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate?
The molecular formula of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate is C13H14O4.
What is the molecular weight of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate?
The molecular weight of Ethyl 2,4-dioxo-4-(p-tolyl)butanoate is 234.09 g/mol.
Where can I buy Ethyl 2,4-dioxo-4-(p-tolyl)butanoate?
You can request a quote for Ethyl 2,4-dioxo-4-(p-tolyl)butanoate 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-dioxo-4-(p-tolyl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4-dioxo-4-(p-tolyl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.