4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate
TL;DR: 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate (CAS 860784-04-9) is a chemical compound with molecular formula C20H18F3NO2 and molecular weight 361.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(trifluoromethyl)phenyl]methyl 4-(1H-indol-3-yl)butanoate
Also Known As: 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate, [4-(trifluoromethyl)phenyl]methyl 4-(1H-indol-3-yl)butanoate, [4-(trifluoromethyl)phenyl]methyl4-(1H-indol-3-yl)butanoate, C20H18F3NO2
| Molecular Formula | C20H18F3NO2 |
|---|---|
| Molecular Weight | 361.13 g/mol |
| LogP | 5.2528 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 361.12897 |
| Heavy Atoms | 26 |
| Complexity | 881.9577 |
Chemical Identifiers
| CAS Number | 860784-04-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN2)CCCC(=O)OCC3=CC=C(C=C3)C(F)(F)F |
Product Overview
4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate (CAS 860784-04-9), with molecular formula C20H18F3NO2 and molecular weight 361.13 g/mol. IUPAC: [4-(trifluoromethyl)phenyl]methyl 4-(1H-indol-3-yl)butanoate.
Chemical Property Profile of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate
Property Insights of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate
The XLogP value of 5.2528 indicates that 4-(trifluoromethyl)benzyl 4-(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, 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate?
The CAS number of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate is 860784-04-9.
What is the molecular formula of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate?
The molecular formula of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate is C20H18F3NO2.
What is the molecular weight of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate?
The molecular weight of 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate is 361.13 g/mol.
Where can I buy 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate?
You can request a quote for 4-(trifluoromethyl)benzyl 4-(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 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for 4-(trifluoromethyl)benzyl 4-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.