4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester
TL;DR: 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester (CAS 156306-36-4) is a chemical compound with molecular formula C14H14F3NO2 and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
Also Known As: Ethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate, 4,4,4-TRIFLUORO-3-(1H-INDOL-3-YL)-BUTYRIC ACID ETHYL ESTER, 103-072-2, RefChem:506957
| Molecular Formula | C14H14F3NO2 |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 3.767 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 285.09766 |
| Heavy Atoms | 20 |
| Complexity | 603.73 |
Chemical Identifiers
| CAS Number | 156306-36-4 |
|---|---|
| SMILES | CCOC(=O)CC(C1=CNC2=CC=CC=C21)C(F)(F)F |
Product Overview
4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester (CAS 156306-36-4), with molecular formula C14H14F3NO2 and molecular weight 285.10 g/mol. IUPAC: ethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate.
Chemical Property Profile of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester
Property Insights of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester
The XLogP value of 3.767 indicates that 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester has 1 hydrogen bond donor(s) and 2 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 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester?
The CAS number of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester is 156306-36-4.
What is the molecular formula of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester?
The molecular formula of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester is C14H14F3NO2.
What is the molecular weight of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester?
The molecular weight of 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester is 285.10 g/mol.
Where can I buy 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester?
You can request a quote for 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric 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 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-3-(1H-indol-3-YL)-butyric acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.