Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate
TL;DR: Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate (CAS 114125-59-6) is a chemical compound with molecular formula C13H12F3NO3 and molecular weight 287.07693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3,3-trifluoro-2-hydroxy-2-(2-methyl-1H-indol-3-yl)propanoate
Also Known As: methyl 3,3,3-trifluoro-2-hydroxy-2-(2-methyl-1H-indol-3-yl)propanoate, J2.293.403A, AE-848/32729016, Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate, METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-(2-METHYLINDOL-3-YL)PROPANOATE
Technical Specifications
| Molecular Formula | C13H12F3NO3 |
| Molecular Weight | 287.07693 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07693 Da |
| Heavy Atoms | 20 |
| Complexity | 388.0 |
| SMILES | CC1=C(C2=CC=CC=C2N1)C(C(=O)OC)(C(F)(F)F)O |
| InChIKey | QIOGKHBTRZZGKB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate
Property Insights of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate. Following Lipinski's Rule of Five, Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate has 2 hydrogen bond donor(s) and 6 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 alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate?
The CAS number of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate is 114125-59-6.
What is the molecular formula of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate?
The molecular formula of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate is C13H12F3NO3.
What is the molecular weight of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate?
The molecular weight of Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate is 287.07693 g/mol.
Where can I buy Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate?
You can request a quote for Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate?
Yes, CoreyChem provides custom synthesis services for Methyl alpha-hydroxy-2-methyl-alpha-(trifluoromethyl)-1H-indole-3-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.