2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
TL;DR: 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (CAS 184535-76-0) is a chemical compound with molecular formula C14H13F4NO2 and molecular weight 303.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
Also Known As: 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
| Molecular Formula | C14H13F4NO2 |
|---|---|
| Molecular Weight | 303.09 g/mol |
| LogP | 3.7166 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.08823 |
| Heavy Atoms | 21 |
| Complexity | 620.70667 |
Chemical Identifiers
| CAS Number | 184535-76-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)C(CC(=O)OCCF)C(F)(F)F |
Product Overview
2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (CAS 184535-76-0), with molecular formula C14H13F4NO2 and molecular weight 303.09 g/mol. IUPAC: 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate.
Chemical Property Profile of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
Property Insights of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
The XLogP value of 3.7166 indicates that 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.09 Ų, 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate 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 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The CAS number of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is 184535-76-0.
What is the molecular formula of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The molecular formula of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is C14H13F4NO2.
What is the molecular weight of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The molecular weight of 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is 303.09 g/mol.
Where can I buy 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
You can request a quote for 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-fluoroethyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.