![5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid structure](/static/products/294/294666-95-8.png)
5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
TL;DR: 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid (CAS 294666-95-8) is a chemical compound with molecular formula C19H12BrN3O6 and molecular weight 456.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
Also Known As: 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid, 5-Bromo-3-[2-(4-nitro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethyl]-1H-indole-2-carboxylic acid, 5-bromo-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid, 5-bromo-3-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)ethyl]-1H-indole-2-carboxylic acid, 5-bromo-3-[2-(4-nitro-1,3-dioxo-2-isoindolyl)ethyl]-1H-indole-2-carboxylic acid
| Molecular Formula | C19H12BrN3O6 |
|---|---|
| Molecular Weight | 456.99 g/mol |
| LogP | 3.3755 |
| Topological Polar Surface Area | 133.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 456.99094 |
| Heavy Atoms | 29 |
| Complexity | 1232.1527 |
Chemical Identifiers
| CAS Number | 294666-95-8 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC3=C(NC4=C3C=C(C=C4)Br)C(=O)O |
Product Overview
5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid (CAS 294666-95-8), with molecular formula C19H12BrN3O6 and molecular weight 456.99 g/mol. IUPAC: 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
Property Insights of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
The XLogP value of 3.3755 indicates that 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid. Following Lipinski's Rule of Five, 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 5 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 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid?
The CAS number of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid is 294666-95-8.
What is the molecular formula of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid?
The molecular formula of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid is C19H12BrN3O6.
What is the molecular weight of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid?
The molecular weight of 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid is 456.99 g/mol.
Where can I buy 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid?
You can request a quote for 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.