4-(4-Chlorophenyl)-2,4-dioxobutanoic acid
TL;DR: 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid (CAS 38053-20-2) is a chemical compound with molecular formula C10H7ClO4 and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)-2,4-dioxobutanoic acid
Also Known As: 4-(4-chlorophenyl)-2,4-dioxobutanoic acid, p-chlorobenzoylpyruvic acid, Benzenebutanoic acid, 4-chloro-a,g-dioxo-, 4-(4-Chlorophenyl)-2,4-dioxobutyric acid, 4-(4-chlorophenyl)-2,4-dioxo-butanoic acid
| Molecular Formula | C10H7ClO4 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.00328 |
| Heavy Atoms | 15 |
| Complexity | 279.0 |
Chemical Identifiers
| CAS Number | 38053-20-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(=O)C(=O)O)Cl |
| InChIKey | REKRWOUHJMMFBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(4-Chlorophenyl)-2,4-dioxobutanoic acid (CAS 38053-20-2), with molecular formula C10H7ClO4 and molecular weight 226.00 g/mol. IUPAC: 4-(4-chlorophenyl)-2,4-dioxobutanoic acid.
Chemical Property Profile of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid
Property Insights of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid. Following Lipinski's Rule of Five, 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid has 1 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 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid?
The CAS number of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid is 38053-20-2.
What is the molecular formula of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid?
The molecular formula of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid is C10H7ClO4.
What is the molecular weight of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid?
The molecular weight of 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid is 226.00 g/mol.
Where can I buy 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid?
You can request a quote for 4-(4-Chlorophenyl)-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-Chlorophenyl)-2,4-dioxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Chlorophenyl)-2,4-dioxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.