Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate
TL;DR: Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate (CAS 108440-36-4) is a chemical compound with molecular formula C10H10F3NO3 and molecular weight 249.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(4-aminophenyl)-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: methyl 2-(4-aminophenyl)-3,3,3-trifluoro-2-hydroxypropanoate, Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate, Methyl 4-amino-I+/--hydroxy-I+/--(trifluoromethyl)benzeneacetate
Technical Specifications
| Molecular Formula | C10H10F3NO3 |
| Molecular Weight | 249.06128 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 72.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.06128 Da |
| Heavy Atoms | 17 |
| Complexity | 287.0 |
| SMILES | COC(=O)C(C1=CC=C(C=C1)N)(C(F)(F)F)O |
| InChIKey | YOVPEPARFAVFFO-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate
Property Insights of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate. Following Lipinski's Rule of Five, Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate 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 Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate?
The CAS number of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate is 108440-36-4.
What is the molecular formula of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate?
The molecular formula of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate is C10H10F3NO3.
What is the molecular weight of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate?
The molecular weight of Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate is 249.06128 g/mol.
Where can I buy Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate?
You can request a quote for Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-amino-alpha-hydroxy-alpha-(trifluoromethyl)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.