2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid
TL;DR: 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid (CAS 488745-00-2) is a chemical compound with molecular formula C15H6Cl2N2O6 and molecular weight 379.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid
Also Known As: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid, 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-4-nitrobenzoic acid, 2-(5,6-dichloro-1,3-dioxo-isoindol-2-yl)-4-nitro-benzoic Acid, 2-(5,6-dichloro-1,3-dioxoisoindolin-2-yl)-4-nitrobenzoic acid
| Molecular Formula | C15H6Cl2N2O6 |
|---|---|
| Molecular Weight | 379.96 g/mol |
| LogP | 3.4004 |
| Topological Polar Surface Area | 117.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.9603 |
| Heavy Atoms | 25 |
| Complexity | 947.2271 |
Chemical Identifiers
| CAS Number | 488745-00-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl)C(=O)O |
Product Overview
2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid (CAS 488745-00-2), with molecular formula C15H6Cl2N2O6 and molecular weight 379.96 g/mol. IUPAC: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid.
Chemical Property Profile of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid
Property Insights of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid
The XLogP value of 3.4004 indicates that 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid 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
Frequently Asked Questions
What is the CAS number of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid?
The CAS number of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid is 488745-00-2.
What is the molecular formula of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid?
The molecular formula of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid is C15H6Cl2N2O6.
What is the molecular weight of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid?
The molecular weight of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid is 379.96 g/mol.
Where can I buy 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid?
You can request a quote for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-4-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.