Iodoxamic Acid
TL;DR: Iodoxamic Acid (CAS 31127-82-9) is a chemical compound with molecular formula C26H26I6N2O10 and molecular weight 1287.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid
Also Known As: Iodoxamic acid, Videocolangio, Endomirabil, Cholevue, Acido iodoxamico
| Molecular Formula | C26H26I6N2O10 |
|---|---|
| Molecular Weight | 1287.59 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 19 |
| Exact Mass | 1287.5856 |
| Heavy Atoms | 44 |
| Complexity | 868.0 |
Chemical Identifiers
| CAS Number | 31127-82-9 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I |
| InChIKey | WWVAPFRKZMUPHZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iodoxamic Acid (CAS 31127-82-9), with molecular formula C26H26I6N2O10 and molecular weight 1287.59 g/mol. IUPAC: 3-[3-[2-[2-[2-[3-(3-carboxy-2,4,6-triiodoanilino)-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodobenzoic acid.
Chemical Property Profile of Iodoxamic Acid
Property Insights of Iodoxamic Acid
The XLogP value of 4.2 indicates that Iodoxamic Acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 170.0 Ų indicates high polarity, suggesting Iodoxamic Acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iodoxamic Acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodoxamic Acid?
The CAS number of Iodoxamic Acid is 31127-82-9.
What is the molecular formula of Iodoxamic Acid?
The molecular formula of Iodoxamic Acid is C26H26I6N2O10.
What is the molecular weight of Iodoxamic Acid?
The molecular weight of Iodoxamic Acid is 1287.59 g/mol.
Where can I buy Iodoxamic Acid?
You can request a quote for Iodoxamic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodoxamic Acid?
Yes, KEHONG BIO provides custom synthesis services for Iodoxamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.