![2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid structure](/static/products/7377/737772-46-2.webp)
2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid
TL;DR: 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid (CAS 737772-46-2) is a chemical compound with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid
Also Known As: 2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid, Benzenebutanoic acid, a,g-dioxo-2-(trifluoromethyl)-, I+/-,I(3)-Dioxo-2-(trifluoromethyl)benzenebutanoic acid
| Molecular Formula | C11H7F3O4 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.02963 |
| Heavy Atoms | 18 |
| Complexity | 362.0 |
Chemical Identifiers
| CAS Number | 737772-46-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)CC(=O)C(=O)O)C(F)(F)F |
| InChIKey | FRWVUMXUFNVNLO-UHFFFAOYSA-N |
Product Overview
2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid (CAS 737772-46-2), with molecular formula C11H7F3O4 and molecular weight 260.03 g/mol. IUPAC: 2,4-dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid.
Chemical Property Profile of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid
Property Insights of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid. Following Lipinski's Rule of Five, 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid has 1 hydrogen bond donor(s) and 7 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 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid?
The CAS number of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid is 737772-46-2.
What is the molecular formula of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid?
The molecular formula of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid is C11H7F3O4.
What is the molecular weight of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid?
The molecular weight of 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid is 260.03 g/mol.
Where can I buy 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid?
You can request a quote for 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dioxo-4-[2-(trifluoromethyl)phenyl]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.