ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
TL;DR: ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate (CAS 17826-11-8) is a chemical compound with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
Also Known As: ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate, ethylbromoindolyloxoacetate, Ethyl 2-(5-Bromo-3-indolyl)-2-oxoacetate, 5-Bromo-3-indoleglyoxylic acid ethyl ester, Ethyl (5-bromo-1H-indol-3-yl)(oxo)acetate
| Molecular Formula | C12H10BrNO3 |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 2.6762 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 294.9844 |
| Heavy Atoms | 17 |
| Complexity | 588.4483 |
Chemical Identifiers
| CAS Number | 17826-11-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br |
Product Overview
ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate (CAS 17826-11-8), with molecular formula C12H10BrNO3 and molecular weight 294.98 g/mol. IUPAC: ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate.
Chemical Property Profile of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
Property Insights of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
The XLogP value of 2.6762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate has 1 hydrogen bond donor(s) and 3 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 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The CAS number of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is 17826-11-8.
What is the molecular formula of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The molecular formula of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is C12H10BrNO3.
What is the molecular weight of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The molecular weight of ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is 294.98 g/mol.
Where can I buy ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
You can request a quote for ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.