4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid
TL;DR: 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid (CAS 55558-77-5) is a chemical compound with molecular formula C11H10O5 and molecular weight 222.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methoxyphenyl)-2,4-dioxobutanoic acid
Also Known As: 1-Aminotridecane, 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid, 4-(4-Methoxy-phenyl)-2,4-dioxo-butyric acid, p-methoxybenzoylpyruvic acid, 4- -2,4-dioxo-butyricacid
| Molecular Formula | C11H10O5 |
|---|---|
| Molecular Weight | 222.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.05283 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 55558-77-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)CC(=O)C(=O)O |
| InChIKey | QTDIUFUNHQSHTP-UHFFFAOYSA-N |
Product Overview
4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid (CAS 55558-77-5), with molecular formula C11H10O5 and molecular weight 222.05 g/mol. IUPAC: 4-(4-methoxyphenyl)-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid
Property Insights of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid 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 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid?
The CAS number of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid is 55558-77-5.
What is the molecular formula of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid?
The molecular formula of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid is C11H10O5.
What is the molecular weight of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid?
The molecular weight of 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid is 222.05 g/mol.
Where can I buy 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid?
You can request a quote for 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methoxyphenyl)-2,4-dioxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.