![5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid structure](/static/products/4043/404366-60-5.webp)
5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
TL;DR: 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid (CAS 404366-60-5) is a chemical compound with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
Also Known As: 5-Bromo-2-[[[2-(1,1-dimethylethyl)-2,3-dihydro-1,3-dioxo-1H-isoindol-5-yl]carbonyl]amino]benzoic acid, 5-bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid, 5-bromo-2-[(1,3-dioxo-2-tert-butyl-isoindole-5-carbonyl)amino]benzoic Acid, 5-Bromo-2-[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonyl)amino]benzoic acid, 5-bromo-2-{[(2-tert-butyl-1,3-dioxo-2,3-dihydro-1h-isoindol-5-yl)carbonyl]amino}benzoic acid
| Molecular Formula | C20H17BrN2O5 |
|---|---|
| Molecular Weight | 444.03 g/mol |
| LogP | 3.7941 |
| Topological Polar Surface Area | 103.78 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 444.03207 |
| Heavy Atoms | 28 |
| Complexity | 1039.377 |
Chemical Identifiers
| CAS Number | 404366-60-5 |
|---|---|
| SMILES | CC(C)(C)N1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3=C(C=C(C=C3)Br)C(=O)O |
Product Overview
5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid (CAS 404366-60-5), with molecular formula C20H17BrN2O5 and molecular weight 444.03 g/mol. IUPAC: 5-bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid.
Chemical Property Profile of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
Property Insights of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid
The XLogP value of 3.7941 indicates that 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.78 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid. Following Lipinski's Rule of Five, 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid has 2 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 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid?
The CAS number of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid is 404366-60-5.
What is the molecular formula of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid?
The molecular formula of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid is C20H17BrN2O5.
What is the molecular weight of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid?
The molecular weight of 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid is 444.03 g/mol.
Where can I buy 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid?
You can request a quote for 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Bromo-2-[(2-tert-butyl-1,3-dioxoisoindole-5-carbonyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.