![4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid structure](/static/products/883/883226-95-7.png)
4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid
TL;DR: 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid (CAS 883226-95-7) is a chemical compound with molecular formula C11H8ClF4NO3 and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3-chlorophenyl)methylamino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
Also Known As: 4-{[(3-chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid, 3-[(3-chlorophenyl)methylcarbamoyl]-2,2,3,3-tetrafluoro-propanoic Acid, 4-[(3-chlorophenyl)methylamino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid
| Molecular Formula | C11H8ClF4NO3 |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 2.3114 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.01288 |
| Heavy Atoms | 20 |
| Complexity | 536.1545 |
Chemical Identifiers
| CAS Number | 883226-95-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)C(C(C(=O)O)(F)F)(F)F |
Product Overview
4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid (CAS 883226-95-7), with molecular formula C11H8ClF4NO3 and molecular weight 313.01 g/mol. IUPAC: 4-[(3-chlorophenyl)methylamino]-2,2,3,3-tetrafluoro-4-oxobutanoic acid.
Chemical Property Profile of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid
Property Insights of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid
The XLogP value of 2.3114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid has 2 hydrogen bond donor(s) and 2 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-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The CAS number of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid is 883226-95-7.
What is the molecular formula of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The molecular formula of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid is C11H8ClF4NO3.
What is the molecular weight of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
The molecular weight of 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid is 313.01 g/mol.
Where can I buy 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
You can request a quote for 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(3-Chlorophenyl)methyl]amino}-2,2,3,3-tetrafluoro-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.