Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate
TL;DR: Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate (CAS 4940-37-8) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate
Also Known As: Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate, Ethyl4-(2-hydroxyphenyl)-2,4-dioxobutanoate, Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate #, 4-(2-Hydroxy-phenyl)-2,4-dioxobutyric acid, ethyl ester
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 4940-37-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)CC(=O)C1=CC=CC=C1O |
| InChIKey | PSFPQJSCHOSMAE-UHFFFAOYSA-N |
Product Overview
Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate (CAS 4940-37-8), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate.
Chemical Property Profile of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate
Property Insights of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate has 1 hydrogen bond donor(s) and 5 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 4-(2-hydroxyphenyl)-2,4-dioxobutanoate?
The CAS number of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate is 4940-37-8.
What is the molecular formula of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate?
The molecular formula of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate is C12H12O5.
What is the molecular weight of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate?
The molecular weight of Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate is 236.07 g/mol.
Where can I buy Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate?
You can request a quote for Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(2-hydroxyphenyl)-2,4-dioxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.