ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate
TL;DR: ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate (CAS 799790-54-8) is a chemical compound with molecular formula C21H28BrN3O3 and molecular weight 449.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate
Also Known As: ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate, Ethyl 5-bromo-3-[3-(3,5-dimethyl-1-piperidyl)propanoylamino]-1H-indole-2-carboxylate, ethyl 5-bromo-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate, ethyl 5-bromo-3-{[3-(3,5-dimethylpiperidin-1-yl)propanoyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C21H28BrN3O3 |
|---|---|
| Molecular Weight | 449.13 g/mol |
| LogP | 4.4136 |
| Topological Polar Surface Area | 74.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.1314 |
| Heavy Atoms | 28 |
| Complexity | 853.943 |
Chemical Identifiers
| CAS Number | 799790-54-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)CCN3CC(CC(C3)C)C |
Product Overview
ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate (CAS 799790-54-8), with molecular formula C21H28BrN3O3 and molecular weight 449.13 g/mol. IUPAC: ethyl 5-bromo-3-[3-(3,5-dimethylpiperidin-1-yl)propanoylamino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate
Property Insights of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate
The XLogP value of 4.4136 indicates that ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-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 ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-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 ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate?
The CAS number of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate is 799790-54-8.
What is the molecular formula of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate is C21H28BrN3O3.
What is the molecular weight of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate is 449.13 g/mol.
Where can I buy ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-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 ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-bromo-3-(3-(3,5-dimethylpiperidin-1-yl)propanamido)-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.