methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
TL;DR: methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate (CAS 163160-56-3) is a chemical compound with molecular formula C11H8BrNO3 and molecular weight 280.96875 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
Also Known As: methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate, Methyl 2-(5-Bromo-3-indolyl)-2-oxoacetate, 5-Bromo-3-indoleglyoxylic acid methyl ester, methyl (5-bromo-1H-indol-3-yl)(oxo)acetate, methyl 2-(5-bromoindol-3-yl)-2-oxoacetate
Technical Specifications
| Molecular Formula | C11H8BrNO3 |
| Molecular Weight | 280.96875 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.96875 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)Br |
| InChIKey | DHPHYKMALRMWJY-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
Property Insights of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate. With a topological polar surface area (TPSA) of 59.2 Ų, methyl 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, methyl 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
What is the CAS number of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The CAS number of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is 163160-56-3.
What is the molecular formula of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The molecular formula of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is C11H8BrNO3.
What is the molecular weight of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
The molecular weight of methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate is 280.96875 g/mol.
Where can I buy methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
You can request a quote for methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for methyl 2-(5-bromo-1H-indol-3-yl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.