5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
TL;DR: 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 831243-80-2) is a chemical compound with molecular formula C20H12BrN3O6 and molecular weight 468.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-bromo-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
Also Known As: 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid, 5-bromo-2-({[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]carbonyl}amino)benzoic acid, 5-bromo-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxo-isoindole-5-carbonyl]amino]benzoic Acid, 5-bromo-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid
| Molecular Formula | C20H12BrN3O6 |
|---|---|
| Molecular Weight | 468.99 g/mol |
| LogP | 3.49662 |
| Topological Polar Surface Area | 129.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 468.99094 |
| Heavy Atoms | 30 |
| Complexity | 1249.0889 |
Chemical Identifiers
| CAS Number | 831243-80-2 |
|---|---|
| SMILES | CC1=CC(=NO1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)NC4=C(C=C(C=C4)Br)C(=O)O |
Product Overview
5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid (CAS 831243-80-2), with molecular formula C20H12BrN3O6 and molecular weight 468.99 g/mol. IUPAC: 5-bromo-2-[[2-(5-methyl-1,2-oxazol-3-yl)-1,3-dioxoisoindole-5-carbonyl]amino]benzoic acid.
Chemical Property Profile of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
Property Insights of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid
The XLogP value of 3.49662 indicates that 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid. Following Lipinski's Rule of Five, 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid has 2 hydrogen bond donor(s) and 6 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-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The CAS number of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 831243-80-2.
What is the molecular formula of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular formula of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is C20H12BrN3O6.
What is the molecular weight of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
The molecular weight of 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid is 468.99 g/mol.
Where can I buy 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
You can request a quote for 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)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-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-bromo-2-(2-(5-methylisoxazol-3-yl)-1,3-dioxoisoindoline-5-carboxamido)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.