![ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate structure](/static/products/866/866602-97-3.png)
ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
TL;DR: ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate (CAS 866602-97-3) is a chemical compound with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-bromo-3-[(2,4,5-trimethylbenzoyl)amino]-1H-indole-2-carboxylate
Also Known As: ETHYL 5-BROMO-3-(2,4,5-TRIMETHYLBENZAMIDO)-1H-INDOLE-2-CARBOXYLATE, ethyl 5-bromo-3-[(2,4,5-trimethylbenzoyl)amino]-1H-indole-2-carboxylate, ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
| Molecular Formula | C21H21BrN2O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 5.28466 |
| Topological Polar Surface Area | 71.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.07355 |
| Heavy Atoms | 27 |
| Complexity | 1053.2516 |
Chemical Identifiers
| CAS Number | 866602-97-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)Br)NC(=O)C3=C(C=C(C(=C3)C)C)C |
Product Overview
ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate (CAS 866602-97-3), with molecular formula C21H21BrN2O3 and molecular weight 428.07 g/mol. IUPAC: ethyl 5-bromo-3-[(2,4,5-trimethylbenzoyl)amino]-1H-indole-2-carboxylate.
Chemical Property Profile of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
Property Insights of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate
The XLogP value of 5.28466 indicates that ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The CAS number of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate is 866602-97-3.
What is the molecular formula of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The molecular formula of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate is C21H21BrN2O3.
What is the molecular weight of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate?
The molecular weight of ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate is 428.07 g/mol.
Where can I buy ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate?
You can request a quote for ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-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-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-bromo-3-{[(2,4,5-trimethylphenyl)carbonyl]amino}-1H-indole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.