![4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate structure](/static/products/6813/6813-23-6.webp)
4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate
TL;DR: 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate (CAS 6813-23-6) is a chemical compound with molecular formula C11H5F7NO4- and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate
Also Known As: 4-[[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate, 4-[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanamido]benzoate
| Molecular Formula | C11H5F7NO4- |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | 1.7531 |
| Topological Polar Surface Area | 78.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.01068 |
| Heavy Atoms | 23 |
| Complexity | 597.3877 |
Chemical Identifiers
| CAS Number | 6813-23-6 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)[O-])NC(=O)C(C(OC(F)(F)F)(F)F)(F)F |
Product Overview
4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate (CAS 6813-23-6), with molecular formula C11H5F7NO4- and molecular weight 348.01 g/mol. IUPAC: 4-[[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate.
Chemical Property Profile of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate
Property Insights of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate
The XLogP value of 1.7531 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate. The TPSA of 78.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate. Following Lipinski's Rule of Five, 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate 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-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate?
The CAS number of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate is 6813-23-6.
What is the molecular formula of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate?
The molecular formula of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate is C11H5F7NO4-.
What is the molecular weight of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate?
The molecular weight of 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate is 348.01 g/mol.
Where can I buy 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate?
You can request a quote for 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2,2,3,3-Tetrafluoro-3-(trifluoromethoxy)propanoyl]amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.