Ioxabrolic Acid
TL;DR: Ioxabrolic Acid (CAS 96191-65-0) is a chemical compound with molecular formula C24H21Br3I3N5O8 and molecular weight 1124.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Ioxabrolic Acid
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Also Known As: Ioxabrolic acid, acido ioxabrolico, Ioxabrolicacid, acide ioxabrolique, Ioxabrolic acid [INN]
| Molecular Formula | C24H21Br3I3N5O8 |
|---|---|
| Molecular Weight | 1124.61 g/mol |
| LogP | 3.919 |
| Topological Polar Surface Area | 194.24 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 1124.6074 |
| Heavy Atoms | 43 |
| Complexity | 1557.5184 |
Chemical Identifiers
| CAS Number | 96191-65-0 |
|---|---|
| SMILES | CC(=O)N(C)C1=C(C(=C(C(=C1Br)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)Br)C(=O)NC)Br |
Product Overview
Ioxabrolic Acid (CAS 96191-65-0), with molecular formula C24H21Br3I3N5O8 and molecular weight 1124.61 g/mol. IUPAC: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-tribromo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Ioxabrolic Acid
Property Insights of Ioxabrolic Acid
The XLogP value of 3.919 indicates that Ioxabrolic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.24 Ų indicates high polarity, suggesting Ioxabrolic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ioxabrolic Acid has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ioxabrolic Acid?
The CAS number of Ioxabrolic Acid is 96191-65-0.
What is the molecular formula of Ioxabrolic Acid?
The molecular formula of Ioxabrolic Acid is C24H21Br3I3N5O8.
What is the molecular weight of Ioxabrolic Acid?
The molecular weight of Ioxabrolic Acid is 1124.61 g/mol.
Where can I buy Ioxabrolic Acid?
You can request a quote for Ioxabrolic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ioxabrolic Acid?
Yes, KEHONG BIO provides custom synthesis services for Ioxabrolic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.