![ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate structure](/static/products/840/840461-71-4.png)
ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate (CAS 840461-71-4) is a chemical compound with molecular formula C25H35N3O5 and molecular weight 457.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5,6-dimethoxy-3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]-1H-indole-2-carboxylate
Also Known As: ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate, ethyl 5,6-dimethoxy-3-[[2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)acetyl]amino]-1H-indole-2-carboxylate, ethyl 5,6-dimethoxy-3-{[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C25H35N3O5 |
|---|---|
| Molecular Weight | 457.26 g/mol |
| LogP | 4.2009 |
| Topological Polar Surface Area | 92.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 457.25766 |
| Heavy Atoms | 33 |
| Complexity | 1075.6671 |
Chemical Identifiers
| CAS Number | 840461-71-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=CC(=C(C=C2N1)OC)OC)NC(=O)CN3CC4(CC3CC(C4)(C)C)C |
Product Overview
ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate (CAS 840461-71-4), with molecular formula C25H35N3O5 and molecular weight 457.26 g/mol. IUPAC: ethyl 5,6-dimethoxy-3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 4.2009 indicates that ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 6 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 ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 840461-71-4.
What is the molecular formula of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is C25H35N3O5.
What is the molecular weight of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 457.26 g/mol.
Where can I buy ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-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 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5,6-dimethoxy-3-(2-((1R,5S)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.