![4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid structure](/static/products/6136/613657-97-9.webp)
4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid
TL;DR: 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid (CAS 613657-97-9) is a chemical compound with molecular formula C11H12F3NO4S and molecular weight 311.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
Also Known As: 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic Acid, 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid, Butanoic acid, 4-[[[2-(trifluoromethyl)phenyl]sulfonyl]amino]-, 4-({[2-(trifluoromethyl)phenyl]sulfonyl}amino)butanoic acid, 4-{[2-(Trifluoromethyl)benzene-1-sulfonyl]amino}butanoic acid
| Molecular Formula | C11H12F3NO4S |
|---|---|
| Molecular Weight | 311.04 g/mol |
| LogP | 1.8485 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.0439 |
| Heavy Atoms | 20 |
| Complexity | 583.5762 |
Chemical Identifiers
| CAS Number | 613657-97-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)S(=O)(=O)NCCCC(=O)O |
Product Overview
4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid (CAS 613657-97-9), with molecular formula C11H12F3NO4S and molecular weight 311.04 g/mol. IUPAC: 4-[[2-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid.
Chemical Property Profile of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid
Property Insights of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid
The XLogP value of 1.8485 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid. Following Lipinski's Rule of Five, 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic 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 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid?
The CAS number of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid is 613657-97-9.
What is the molecular formula of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid?
The molecular formula of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid is C11H12F3NO4S.
What is the molecular weight of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid?
The molecular weight of 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid is 311.04 g/mol.
Where can I buy 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid?
You can request a quote for 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[2-(Trifluoromethyl)phenyl]sulfonyl]amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.