2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
TL;DR: 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid (CAS 111187-20-3) is a chemical compound with molecular formula C17H11Cl2NO4 and molecular weight 363.01 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)-3-phenylpropanoic acid
Also Known As: J3.615.976F, 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid, 2-(5,6-dichloro-1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-3-phenylpropanoic acid, 2-(5,6-dichloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoic acid, 2-(5,6-dichloro-1,3-dioxo-isoindol-2-yl)-3-phenyl-propanoic Acid
| Molecular Formula | C17H11Cl2NO4 |
|---|---|
| Molecular Weight | 363.01 g/mol |
| LogP | 3.2853 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.0065 |
| Heavy Atoms | 24 |
| Complexity | 810.16907 |
Chemical Identifiers
| CAS Number | 111187-20-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)N2C(=O)C3=CC(=C(C=C3C2=O)Cl)Cl |
Product Overview
2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid (CAS 111187-20-3), with molecular formula C17H11Cl2NO4 and molecular weight 363.01 g/mol. IUPAC: 2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid.
Chemical Property Profile of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
Property Insights of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
The XLogP value of 3.2853 indicates that 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid has 1 hydrogen bond donor(s) and 3 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)-3-phenylpropanoic acid?
The CAS number of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid is 111187-20-3.
What is the molecular formula of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid?
The molecular formula of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid is C17H11Cl2NO4.
What is the molecular weight of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid?
The molecular weight of 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid is 363.01 g/mol.
Where can I buy 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid?
You can request a quote for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic 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)-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(5,6-Dichloro-1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.