methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
TL;DR: methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate (CAS 163160-57-4) is a chemical compound with molecular formula C11H8N2O5 and molecular weight 248.04332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
Also Known As: Methyl 2-(5-Nitro-3-indolyl)-2-oxoacetate, methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate, Methyl2-(5-Nitro-3-indolyl)-2-oxoacetate, methyl (5-nitro-1H-indol-3-yl)(oxo)acetate, methyl 2-(5-nitroindol-3-yl)-2-oxoacetate
Technical Specifications
| Molecular Formula | C11H8N2O5 |
| Molecular Weight | 248.04332 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.04332 Da |
| Heavy Atoms | 18 |
| Complexity | 378.0 |
| SMILES | COC(=O)C(=O)C1=CNC2=C1C=C(C=C2)[N+](=O)[O-] |
| InChIKey | SVYATAVBYMWSBG-UHFFFAOYSA-N |
Chemical Property Profile of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
Property Insights of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate. Following Lipinski's Rule of Five, methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate has 1 hydrogen bond donor(s) and 5 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-nitro-1H-indol-3-yl)-2-oxoacetate?
The CAS number of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate is 163160-57-4.
What is the molecular formula of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate?
The molecular formula of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate is C11H8N2O5.
What is the molecular weight of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate?
The molecular weight of methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate is 248.04332 g/mol.
Where can I buy methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate?
You can request a quote for methyl 2-(5-nitro-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-nitro-1H-indol-3-yl)-2-oxoacetate?
Yes, CoreyChem provides custom synthesis services for methyl 2-(5-nitro-1H-indol-3-yl)-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.