![2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid structure](/static/products/3389/338953-89-2.webp)
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid
TL;DR: 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid (CAS 338953-89-2) is a chemical compound with molecular formula C12H12F3NO5S and molecular weight 339.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid
Also Known As: 2-[(2-oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid, 2-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methanesulfonyl]acetic acid, 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid, [({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methanesulfonyl]acetic acid, 2-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methanesulfonyl]aceticacid
| Molecular Formula | C12H12F3NO5S |
|---|---|
| Molecular Weight | 339.04 g/mol |
| LogP | 0.821 |
| Topological Polar Surface Area | 100.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 339.03882 |
| Heavy Atoms | 22 |
| Complexity | 669.5845 |
Chemical Identifiers
| CAS Number | 338953-89-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CS(=O)(=O)CC(=O)O |
Product Overview
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid (CAS 338953-89-2), with molecular formula C12H12F3NO5S and molecular weight 339.04 g/mol. IUPAC: 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfonylacetic acid.
Chemical Property Profile of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid
Property Insights of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid
The XLogP value of 0.821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid. The TPSA of 100.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid has 2 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 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid?
The CAS number of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid is 338953-89-2.
What is the molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid?
The molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid is C12H12F3NO5S.
What is the molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid?
The molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid is 339.04 g/mol.
Where can I buy 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid?
You can request a quote for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfonyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.