![methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate structure](/static/products/121/1212445-10-7.png)
methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
TL;DR: methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate (CAS 1212445-10-7) is a chemical compound with molecular formula C22H28BrN3O3 and molecular weight 461.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-bromo-3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]-1H-indole-2-carboxylate
Also Known As: methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate, methyl 5-bromo-3-[[2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)acetyl]amino]-1H-indole-2-carboxylate, methyl 5-bromo-3-{[(1,3,3-trimethyl-6-azabicyclo[3.2.1]oct-6-yl)acetyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C22H28BrN3O3 |
|---|---|
| Molecular Weight | 461.13 g/mol |
| LogP | 4.5561 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 461.1314 |
| Heavy Atoms | 29 |
| Complexity | 983.08295 |
Chemical Identifiers
| CAS Number | 1212445-10-7 |
|---|---|
| SMILES | CC1(CC2CC(C1)(CN2CC(=O)NC3=C(NC4=C3C=C(C=C4)Br)C(=O)OC)C)C |
Product Overview
methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate (CAS 1212445-10-7), with molecular formula C22H28BrN3O3 and molecular weight 461.13 g/mol. IUPAC: methyl 5-bromo-3-[[2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetyl]amino]-1H-indole-2-carboxylate.
Chemical Property Profile of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
Property Insights of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate
The XLogP value of 4.5561 indicates that methyl 5-bromo-3-(2-((1S,5R)-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 74.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 4 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 methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The CAS number of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 1212445-10-7.
What is the molecular formula of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The molecular formula of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is C22H28BrN3O3.
What is the molecular weight of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
The molecular weight of methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate is 461.13 g/mol.
Where can I buy methyl 5-bromo-3-(2-((1S,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)acetamido)-1H-indole-2-carboxylate?
You can request a quote for methyl 5-bromo-3-(2-((1S,5R)-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 methyl 5-bromo-3-(2-((1S,5R)-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 methyl 5-bromo-3-(2-((1S,5R)-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.