![2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid structure](/static/products/3389/338953-72-3.webp)
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid
TL;DR: 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid (CAS 338953-72-3) is a chemical compound with molecular formula C12H12F3NO3S and molecular weight 307.05 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]sulfanylacetic acid
Also Known As: 2-[(2-oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid, 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid, 2-{[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}acetic acid, {[({[3-(trifluoromethyl)phenyl]methyl}carbamoyl)methyl]sulfanyl}acetic acid, 2-[[2-keto-2-[[3-(trifluoromethyl)benzyl]amino]ethyl]thio]acetic acid
| Molecular Formula | C12H12F3NO3S |
|---|---|
| Molecular Weight | 307.05 g/mol |
| LogP | 2.1394 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 307.049 |
| Heavy Atoms | 20 |
| Complexity | 491.08105 |
Chemical Identifiers
| CAS Number | 338953-72-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CSCC(=O)O |
Product Overview
2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid (CAS 338953-72-3), with molecular formula C12H12F3NO3S and molecular weight 307.05 g/mol. IUPAC: 2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]methylamino]ethyl]sulfanylacetic acid.
Chemical Property Profile of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid
Property Insights of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid
The XLogP value of 2.1394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid. Following Lipinski's Rule of Five, 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]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)sulfanyl]acetic acid?
The CAS number of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid is 338953-72-3.
What is the molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid?
The molecular formula of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid is C12H12F3NO3S.
What is the molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid?
The molecular weight of 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid is 307.05 g/mol.
Where can I buy 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid?
You can request a quote for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]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)sulfanyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Oxo-2-{[3-(trifluoromethyl)benzyl]amino}ethyl)sulfanyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.