(R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate
TL;DR: (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate (CAS 1173681-61-2) is a chemical compound with molecular formula C14H17F3N2O3S and molecular weight 350.0912 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
Also Known As: (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate, methyl (2R)-4-methylsulfanyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
Technical Specifications
| Molecular Formula | C14H17F3N2O3S |
| Molecular Weight | 350.0912 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 92.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 350.0912 Da |
| Heavy Atoms | 23 |
| Complexity | 407.0 |
| SMILES | COC(=O)[C@@H](CCSC)NC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | YXNJLRNQTPIJJO-LLVKDONJSA-N |
Chemical Property Profile of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate
Property Insights of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate. The TPSA of 92.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate. Following Lipinski's Rule of Five, (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate?
The CAS number of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate is 1173681-61-2.
What is the molecular formula of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate?
The molecular formula of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate is C14H17F3N2O3S.
What is the molecular weight of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate?
The molecular weight of (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate is 350.0912 g/mol.
Where can I buy (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate?
You can request a quote for (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate?
Yes, CoreyChem provides custom synthesis services for (R)-methyl 4-(methylthio)-2-(3-(3-(trifluoromethyl)phenyl)ureido)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.