![(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid structure](/static/products/116/1164458-41-6.png)
(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
TL;DR: (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid (CAS 1164458-41-6) is a chemical compound with molecular formula C13H15F3N2O3S and molecular weight 336.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
Also Known As: N-{[3-(trifluoromethyl)phenyl]carbamoyl}-L-methionine, (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid, (S)-4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoic acid, (2S)-4-(methylthio)-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butyric acid, (2S)-4-(methylthio)-2-[[oxo-[3-(trifluoromethyl)anilino]methyl]amino]butanoic acid
| Molecular Formula | C13H15F3N2O3S |
|---|---|
| Molecular Weight | 336.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 336.07556 |
| Heavy Atoms | 22 |
| Complexity | 393.0 |
Chemical Identifiers
| CAS Number | 1164458-41-6 |
|---|---|
| SMILES | CSCC[C@@H](C(=O)O)NC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | LIOIRKVULFDPGZ-JTQLQIEISA-N |
Product Overview
(2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid (CAS 1164458-41-6), with molecular formula C13H15F3N2O3S and molecular weight 336.08 g/mol. IUPAC: (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid.
Chemical Property Profile of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
Property Insights of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid. Following Lipinski's Rule of Five, (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid has 3 hydrogen bond donor(s) and 7 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 (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid?
The CAS number of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid is 1164458-41-6.
What is the molecular formula of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid?
The molecular formula of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid is C13H15F3N2O3S.
What is the molecular weight of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid?
The molecular weight of (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid is 336.08 g/mol.
Where can I buy (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid?
You can request a quote for (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.