Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
TL;DR: Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (CAS 164353-12-2) is a chemical compound with molecular formula C15H16F3NO2 and molecular weight 299.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
Also Known As: Propan-2-yl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate, Isopropyl4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate, Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate, 4,4,4-Trifluoro-3-(1H-indol-3-yl)-butyric acid isopropyl ester
| Molecular Formula | C15H16F3NO2 |
|---|---|
| Molecular Weight | 299.11 g/mol |
| LogP | 4.1555 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.1133 |
| Heavy Atoms | 21 |
| Complexity | 631.1256 |
Chemical Identifiers
| CAS Number | 164353-12-2 |
|---|---|
| SMILES | CC(C)OC(=O)CC(C1=CNC2=CC=CC=C21)C(F)(F)F |
Product Overview
Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate (CAS 164353-12-2), with molecular formula C15H16F3NO2 and molecular weight 299.11 g/mol. IUPAC: propan-2-yl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate.
Chemical Property Profile of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
Property Insights of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate
The XLogP value of 4.1555 indicates that Isopropyl 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, Isopropyl 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, Isopropyl 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 Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The CAS number of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is 164353-12-2.
What is the molecular formula of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The molecular formula of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is C15H16F3NO2.
What is the molecular weight of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
The molecular weight of Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate is 299.11 g/mol.
Where can I buy Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
You can request a quote for Isopropyl 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 Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4,4,4-trifluoro-3-(1H-indol-3-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.