![2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid structure](/static/products/3804/380430-75-1.webp)
2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid
TL;DR: 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid (CAS 380430-75-1) is a chemical compound with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid
Also Known As: 2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid, 2-(4,4,4-Trifluoro-3-oxo-but-1-enylamino)-benzoic acid, 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid, 2-[(4,4,4-trifluoro-3-oxo-but-1-enyl)amino]benzoic Acid, 2-[(4,4,4-trifluoro-3-oxobut-1-en-1-yl)amino]benzoicacid
| Molecular Formula | C11H8F3NO3 |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 2.4418 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.04562 |
| Heavy Atoms | 18 |
| Complexity | 494.55197 |
Chemical Identifiers
| CAS Number | 380430-75-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)N/C=C/C(=O)C(F)(F)F |
Product Overview
2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid (CAS 380430-75-1), with molecular formula C11H8F3NO3 and molecular weight 259.05 g/mol. IUPAC: 2-[[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]benzoic acid.
Chemical Property Profile of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid
Property Insights of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid
The XLogP value of 2.4418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 3 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-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid?
The CAS number of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid is 380430-75-1.
What is the molecular formula of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid?
The molecular formula of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid is C11H8F3NO3.
What is the molecular weight of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid?
The molecular weight of 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid is 259.05 g/mol.
Where can I buy 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid?
You can request a quote for 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4,4,4-Trifluoro-3-oxobut-1-en-1-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.