Iodixanol Impurity 2
TL;DR: Iodixanol Impurity 2 (CAS 21838-58-4) is a chemical compound with molecular formula C22H32I3N3O11 and molecular weight 894.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodobenzoate;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Iodixanol Impurity 2, 2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodobenzoate;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol, 2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodo-benzoate, (2R,3R,4R,5S )-6-methylaminohexane-1,2,3,4,5-pentol, 3,5-bis(acetylamino)-2,4,6-triiodobenzoic 2-hydroxybutanoic anhydride- 1-deoxy-1-(methylamino)-d-glucitol(1:1), Benzoic acid, 3,5-diacetamido-2,4,6-triiodo-, ester with 2-hydroxybutyric acid, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
| Molecular Formula | C22H32I3N3O11 |
|---|---|
| Molecular Weight | 894.92 g/mol |
| LogP | -0.4868 |
| Topological Polar Surface Area | 235.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 894.9171 |
| Heavy Atoms | 39 |
| Complexity | 680.0 |
Chemical Identifiers
| CAS Number | 21838-58-4 |
|---|---|
| SMILES | CCC(C(=O)OC(=O)C1=C(C(=C(C(=C1I)NC(=O)C)I)NC(=O)C)I)O.CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O |
| InChIKey | PIBRPEIQGVSVLG-WZTVWXICSA-N |
Product Overview
Iodixanol Impurity 2 (CAS 21838-58-4), with molecular formula C22H32I3N3O11 and molecular weight 894.92 g/mol. IUPAC: 2-hydroxybutanoyl 3,5-diacetamido-2,4,6-triiodobenzoate;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Iodixanol Impurity 2
Property Insights of Iodixanol Impurity 2
The XLogP value of -0.4868 indicates that Iodixanol Impurity 2 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 235.0 Ų indicates high polarity, suggesting Iodixanol Impurity 2 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iodixanol Impurity 2 has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iodixanol Impurity 2?
The CAS number of Iodixanol Impurity 2 is 21838-58-4.
What is the molecular formula of Iodixanol Impurity 2?
The molecular formula of Iodixanol Impurity 2 is C22H32I3N3O11.
What is the molecular weight of Iodixanol Impurity 2?
The molecular weight of Iodixanol Impurity 2 is 894.92 g/mol.
Where can I buy Iodixanol Impurity 2?
You can request a quote for Iodixanol Impurity 2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iodixanol Impurity 2?
Yes, KEHONG BIO provides custom synthesis services for Iodixanol Impurity 2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.