4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid
TL;DR: 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid (CAS 161291-73-2) is a chemical compound with molecular formula C15H8ClNO4 and molecular weight 301.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(5-chloro-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: BAS 00030665, 4-(5-chloro-1,3-dioxoisoindol-2-yl)benzoic acid, 4-(5-Chloro-1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)benzoic acid, 4-(5-chloro-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 4-(5-Chloro-1,3-dioxo-1,3-dihydro-isoindol-2-yl)-benzoic acid
| Molecular Formula | C15H8ClNO4 |
|---|---|
| Molecular Weight | 301.01 g/mol |
| LogP | 2.8388 |
| Topological Polar Surface Area | 74.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 301.0142 |
| Heavy Atoms | 21 |
| Complexity | 782.7607 |
Chemical Identifiers
| CAS Number | 161291-73-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)N2C(=O)C3=C(C2=O)C=C(C=C3)Cl |
Product Overview
4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid (CAS 161291-73-2), with molecular formula C15H8ClNO4 and molecular weight 301.01 g/mol. IUPAC: 4-(5-chloro-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid
Property Insights of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid
The XLogP value of 2.8388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid. The TPSA of 74.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic 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 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid?
The CAS number of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid is 161291-73-2.
What is the molecular formula of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid?
The molecular formula of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid is C15H8ClNO4.
What is the molecular weight of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid?
The molecular weight of 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid is 301.01 g/mol.
Where can I buy 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid?
You can request a quote for 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chloro-1,3-dioxoisoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.