methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
TL;DR: methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate (CAS 896858-77-8) is a chemical compound with molecular formula C26H28F3N3O4 and molecular weight 503.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]acetyl]amino]-1,5-dimethylindole-2-carboxylate
Also Known As: methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate, methyl 3-[({4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl}acetyl)amino]-1,5-dimethyl-1H-indole-2-carboxylate, methyl 3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]acetyl]amino]-1,5-dimethylindole-2-carboxylate
| Molecular Formula | C26H28F3N3O4 |
|---|---|
| Molecular Weight | 503.20 g/mol |
| LogP | 4.21422 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 503.2032 |
| Heavy Atoms | 36 |
| Complexity | 1307.7421 |
Chemical Identifiers
| CAS Number | 896858-77-8 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N(C(=C2NC(=O)CN3CCC(CC3)(C4=CC(=CC=C4)C(F)(F)F)O)C(=O)OC)C |
Product Overview
methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate (CAS 896858-77-8), with molecular formula C26H28F3N3O4 and molecular weight 503.20 g/mol. IUPAC: methyl 3-[[2-[4-hydroxy-4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]acetyl]amino]-1,5-dimethylindole-2-carboxylate.
Chemical Property Profile of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
Property Insights of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate
The XLogP value of 4.21422 indicates that methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The CAS number of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is 896858-77-8.
What is the molecular formula of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The molecular formula of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is C26H28F3N3O4.
What is the molecular weight of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
The molecular weight of methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate is 503.20 g/mol.
Where can I buy methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
You can request a quote for methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-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 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-(4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidin-1-yl)acetamido)-1,5-dimethyl-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.