methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate
TL;DR: methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate (CAS 586998-44-9) is a chemical compound with molecular formula C25H27F3N4O4 and molecular weight 504.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
Also Known As: methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate, methyl 6-methoxy-3-[(3-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}propanoyl)amino]-1H-indole-2-carboxylate, methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate
| Molecular Formula | C25H27F3N4O4 |
|---|---|
| Molecular Weight | 504.20 g/mol |
| LogP | 4.1327 |
| Topological Polar Surface Area | 86.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.19843 |
| Heavy Atoms | 36 |
| Complexity | 1249.8204 |
Chemical Identifiers
| CAS Number | 586998-44-9 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(N2)C(=O)OC)NC(=O)CCN3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F |
Product Overview
methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate (CAS 586998-44-9), with molecular formula C25H27F3N4O4 and molecular weight 504.20 g/mol. IUPAC: methyl 6-methoxy-3-[3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanoylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate
Property Insights of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate
The XLogP value of 4.1327 indicates that methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-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 methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-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 methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate?
The CAS number of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate is 586998-44-9.
What is the molecular formula of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate?
The molecular formula of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate is C25H27F3N4O4.
What is the molecular weight of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate?
The molecular weight of methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate is 504.20 g/mol.
Where can I buy methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate?
You can request a quote for methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-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 methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 6-methoxy-3-(3-(4-(3-(trifluoromethyl)phenyl)piperazin-1-yl)propanamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.