Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
TL;DR: Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate (CAS 304458-63-7) is a chemical compound with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
Also Known As: Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate, J2.168.007I, ethyl 3,3,3-trifluoro-2-hydroxy-2-(indol-3-yl)propionate, 2-(1H-Indole-3-yl)-2-hydroxy-3,3,3-trifluoropropanoic acid ethyl ester, 2-Hydroxy-2-(1H-indole-3-yl)-3,3,3-trifluoropropanoic acid ethyl ester
| Molecular Formula | C13H12F3NO3 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 2.4809 |
| Topological Polar Surface Area | 62.32 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.07693 |
| Heavy Atoms | 20 |
| Complexity | 635.06824 |
Chemical Identifiers
| CAS Number | 304458-63-7 |
|---|---|
| SMILES | CCOC(=O)C(C1=CNC2=CC=CC=C21)(C(F)(F)F)O |
Product Overview
Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate (CAS 304458-63-7), with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol. IUPAC: ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate.
Chemical Property Profile of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
Property Insights of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate
The XLogP value of 2.4809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate. The TPSA of 62.32 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate has 2 hydrogen bond donor(s) and 3 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 Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The CAS number of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is 304458-63-7.
What is the molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The molecular formula of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is C13H12F3NO3.
What is the molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
The molecular weight of Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate is 287.08 g/mol.
Where can I buy Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
You can request a quote for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3,3-trifluoro-2-hydroxy-2-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 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.