![2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid structure](/static/products/3389/338953-77-8.webp)
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid
TL;DR: 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid (CAS 338953-77-8) is a chemical compound with molecular formula C12H12F3NO4S and molecular weight 323.04 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]sulfinylacetic acid
Also Known As: 2-[(2-oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid, 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfinylacetic acid, 2-[[3-(trifluoromethyl)phenyl]methylcarbamoylmethylsulfinyl]acetic Acid, 2-[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methanesulfinyl]acetic acid
| Molecular Formula | C12H12F3NO4S |
|---|---|
| Molecular Weight | 323.04 g/mol |
| LogP | 1.1549 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 323.0439 |
| Heavy Atoms | 21 |
| Complexity | 559.67865 |
Chemical Identifiers
| CAS Number | 338953-77-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CS(=O)CC(=O)O |
Product Overview
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid (CAS 338953-77-8), with molecular formula C12H12F3NO4S and molecular weight 323.04 g/mol. IUPAC: 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfinylacetic acid.
Chemical Property Profile of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid
Property Insights of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid
The XLogP value of 1.1549 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic 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-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid?
The CAS number of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid is 338953-77-8.
What is the molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid?
The molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid is C12H12F3NO4S.
What is the molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid?
The molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid is 323.04 g/mol.
Where can I buy 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid?
You can request a quote for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]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)sulfinyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfinyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.