ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 861645-22-9) is a chemical compound with molecular formula C26H29F3N4O4 and molecular weight 518.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-ethoxy-3-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
Also Known As: ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate, ethyl 5-ethoxy-3-[({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}acetyl)amino]-1H-indole-2-carboxylate, ethyl 5-ethoxy-3-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate
| Molecular Formula | C26H29F3N4O4 |
|---|---|
| Molecular Weight | 518.21 g/mol |
| LogP | 4.5228 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 518.2141 |
| Heavy Atoms | 37 |
| Complexity | 1266.4305 |
Chemical Identifiers
| CAS Number | 861645-22-9 |
|---|---|
| SMILES | CCOC1=CC2=C(C=C1)NC(=C2NC(=O)CN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F)C(=O)OCC |
Product Overview
ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate (CAS 861645-22-9), with molecular formula C26H29F3N4O4 and molecular weight 518.21 g/mol. IUPAC: ethyl 5-ethoxy-3-[[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 4.5228 indicates that ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 861645-22-9.
What is the molecular formula of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is C26H29F3N4O4.
What is the molecular weight of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate is 518.21 g/mol.
Where can I buy ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-ethoxy-3-(2-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)acetamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.