![4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid structure](/static/products/2407/240799-48-8.webp)
4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid
TL;DR: 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid (CAS 240799-48-8) is a chemical compound with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]benzoic acid
Also Known As: 4-{[2-(3-methyl-4-nitro-5-isoxazolyl)vinyl]amino}benzenecarboxylic acid, 4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]benzoic Acid, 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid, 4-((2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl)amino)benzoic acid, 4-[[(E)-2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenyl]amino]benzoic acid
| Molecular Formula | C13H11N3O5 |
|---|---|
| Molecular Weight | 289.07 g/mol |
| LogP | 2.67222 |
| Topological Polar Surface Area | 118.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.0699 |
| Heavy Atoms | 21 |
| Complexity | 703.09686 |
Chemical Identifiers
| CAS Number | 240799-48-8 |
|---|---|
| SMILES | CC1=NOC(=C1[N+](=O)[O-])C=CNC2=CC=C(C=C2)C(=O)O |
Product Overview
4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid (CAS 240799-48-8), with molecular formula C13H11N3O5 and molecular weight 289.07 g/mol. IUPAC: 4-[2-(3-methyl-4-nitro-1,2-oxazol-5-yl)ethenylamino]benzoic acid.
Chemical Property Profile of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid
Property Insights of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid
The XLogP value of 2.67222 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid. The TPSA of 118.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid. Following Lipinski's Rule of Five, 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]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 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid?
The CAS number of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid is 240799-48-8.
What is the molecular formula of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid?
The molecular formula of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid is C13H11N3O5.
What is the molecular weight of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid?
The molecular weight of 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid is 289.07 g/mol.
Where can I buy 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid?
You can request a quote for 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]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 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[2-(3-Methyl-4-nitro-5-isoxazolyl)ethenyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.