Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
TL;DR: Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate (CAS 114125-58-5) is a chemical compound with molecular formula C12H10F3NO3 and molecular weight 273.06128 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-(1H-indol-3-yl)propanoate
Also Known As: Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate, J1.199.678G, methyl 3,3,3-trifluoro-2-hydroxy-2-indol-3-ylpropanoate, Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate #, METHYL 3,3,3-TRIFLUORO-2-HYDROXY-2-(INDOL-3-YL)PROPANOATE
Technical Specifications
| Molecular Formula | C12H10F3NO3 |
| Molecular Weight | 273.06128 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 62.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.06128 Da |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
| SMILES | COC(=O)C(C1=CNC2=CC=CC=C21)(C(F)(F)F)O |
| InChIKey | BJTUXJYJRFFZEC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
Property Insights of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate 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 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The CAS number of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is 114125-58-5.
What is the molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The molecular formula of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is C12H10F3NO3.
What is the molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The molecular weight of Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is 273.06128 g/mol.
Where can I buy Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
You can request a quote for Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.