2-TFA-indole-3-acetic acid, ethyl ester
TL;DR: 2-TFA-indole-3-acetic acid, ethyl ester (CAS 132502-92-2) is a chemical compound with molecular formula C13H12F3NO2 and molecular weight 271.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-(trifluoromethyl)-1H-indol-3-yl]acetate
Also Known As: 2-TFA-indole-3-acetic acid, ethyl ester, J3.213.654K, ethyl 2-[2-(trifluoromethyl)-1H-indol-3-yl]acetate, Ethyl [2-(trifluoromethyl)-1H-indol-3-yl]acetate #, ethyl 2-(2-(trifluoromethyl)-1h-indol-3-yl)acetate
| Molecular Formula | C13H12F3NO2 |
|---|---|
| Molecular Weight | 271.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 42.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 271.082 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 132502-92-2 |
|---|---|
| SMILES | CCOC(=O)CC1=C(NC2=CC=CC=C21)C(F)(F)F |
| InChIKey | KQMJDVLIYNQRGT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-TFA-indole-3-acetic acid, ethyl ester (CAS 132502-92-2), with molecular formula C13H12F3NO2 and molecular weight 271.08 g/mol. IUPAC: ethyl 2-[2-(trifluoromethyl)-1H-indol-3-yl]acetate.
Chemical Property Profile of 2-TFA-indole-3-acetic acid, ethyl ester
Property Insights of 2-TFA-indole-3-acetic acid, ethyl ester
The XLogP value of 3.1 indicates that 2-TFA-indole-3-acetic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.1 Ų, 2-TFA-indole-3-acetic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-TFA-indole-3-acetic acid, ethyl ester has 1 hydrogen bond donor(s) and 5 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 2-TFA-indole-3-acetic acid, ethyl ester?
The CAS number of 2-TFA-indole-3-acetic acid, ethyl ester is 132502-92-2.
What is the molecular formula of 2-TFA-indole-3-acetic acid, ethyl ester?
The molecular formula of 2-TFA-indole-3-acetic acid, ethyl ester is C13H12F3NO2.
What is the molecular weight of 2-TFA-indole-3-acetic acid, ethyl ester?
The molecular weight of 2-TFA-indole-3-acetic acid, ethyl ester is 271.08 g/mol.
Where can I buy 2-TFA-indole-3-acetic acid, ethyl ester?
You can request a quote for 2-TFA-indole-3-acetic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-TFA-indole-3-acetic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-TFA-indole-3-acetic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.