2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
TL;DR: 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 420841-84-5) is a chemical compound with molecular formula C21H12N2O7 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid
Also Known As: H2L 5765834, 2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid, H2L-5765834, 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid, 1H-Isoindole-5-carboxylic acid, 2,3-dihydro-2-(3-(4-nitrophenoxy)phenyl)-1,3-dioxo-
| Molecular Formula | C21H12N2O7 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 3.8859 |
| Topological Polar Surface Area | 127.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.06445 |
| Heavy Atoms | 30 |
| Complexity | 1218.2794 |
Chemical Identifiers
| CAS Number | 420841-84-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=CC=C(C=C2)[N+](=O)[O-])N3C(=O)C4=C(C3=O)C=C(C=C4)C(=O)O |
Product Overview
2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid (CAS 420841-84-5), with molecular formula C21H12N2O7 and molecular weight 404.06 g/mol. IUPAC: 2-[3-(4-nitrophenoxy)phenyl]-1,3-dioxoisoindole-5-carboxylic acid.
Chemical Property Profile of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
Property Insights of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid
The XLogP value of 3.8859 indicates that 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid. Following Lipinski's Rule of Five, 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid has 1 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 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The CAS number of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 420841-84-5.
What is the molecular formula of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular formula of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid is C21H12N2O7.
What is the molecular weight of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
The molecular weight of 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid is 404.06 g/mol.
Where can I buy 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
You can request a quote for 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-Nitrophenoxy)phenyl)-1,3-dioxoisoindoline-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.