3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
TL;DR: 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 301207-23-8) is a chemical compound with molecular formula C15H8BrNO4 and molecular weight 344.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid
Also Known As: BAS 00119477, 3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid, 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid, 3-(5-Bromo-1,3-dioxoisoindolin-2-yl)benzoic acid, BIM-0012964.P001
| Molecular Formula | C15H8BrNO4 |
|---|---|
| Molecular Weight | 344.96 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.96368 |
| Heavy Atoms | 21 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 301207-23-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)C(=O)O |
| InChIKey | JEWZXCGPNBIYFD-UHFFFAOYSA-N |
Product Overview
3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid (CAS 301207-23-8), with molecular formula C15H8BrNO4 and molecular weight 344.96 g/mol. IUPAC: 3-(5-bromo-1,3-dioxoisoindol-2-yl)benzoic acid.
Chemical Property Profile of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
Property Insights of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid. Following Lipinski's Rule of Five, 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid has 1 hydrogen bond donor(s) and 4 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 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The CAS number of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 301207-23-8.
What is the molecular formula of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular formula of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is C15H8BrNO4.
What is the molecular weight of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
The molecular weight of 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid is 344.96 g/mol.
Where can I buy 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
You can request a quote for 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-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 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.