5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid
TL;DR: 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid (CAS 289721-97-7) is a chemical compound with molecular formula C20H15N3O7 and molecular weight 409.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
Also Known As: 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid, 5-methoxy-3-[2-(4-nitro-1,3-dioxo-isoindol-2-yl)ethyl]-1H-indole-2-carboxylic Acid, 5-methoxy-3-[2-(4-nitro-1,3-dioxobenzo[c]azolin-2-yl)ethyl]indole-2-carboxylic acid, 5-methoxy-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid, 5-methoxy-3-[2-(4-nitro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid
| Molecular Formula | C20H15N3O7 |
|---|---|
| Molecular Weight | 409.09 g/mol |
| LogP | 2.6216 |
| Topological Polar Surface Area | 142.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 409.091 |
| Heavy Atoms | 30 |
| Complexity | 1244.6711 |
Chemical Identifiers
| CAS Number | 289721-97-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)NC(=C2CCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-])C(=O)O |
Product Overview
5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid (CAS 289721-97-7), with molecular formula C20H15N3O7 and molecular weight 409.09 g/mol. IUPAC: 5-methoxy-3-[2-(4-nitro-1,3-dioxoisoindol-2-yl)ethyl]-1H-indole-2-carboxylic acid.
Chemical Property Profile of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid
Property Insights of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid
The XLogP value of 2.6216 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid. The TPSA of 142.84 Ų indicates high polarity, suggesting 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid has 2 hydrogen bond donor(s) and 6 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-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid?
The CAS number of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid is 289721-97-7.
What is the molecular formula of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid?
The molecular formula of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid is C20H15N3O7.
What is the molecular weight of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid?
The molecular weight of 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid is 409.09 g/mol.
Where can I buy 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid?
You can request a quote for 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-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-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-methoxy-3-(2-(4-nitro-1,3-dioxoisoindolin-2-yl)ethyl)-1H-indole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.