碘克酸
TL;DR: 碘克酸 (CAS 59017-64-0) is a chemical compound with molecular formula C24H21I6N5O8 and molecular weight 1268.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘克酸
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid
Also Known As: ioxaglic acid, Ioxaglate, Acido ioxaglico, Acide ioxaglique, Acidum ioxaglicum
| Molecular Formula | C24H21I6N5O8 |
|---|---|
| Molecular Weight | 1268.57 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 1268.5658 |
| Heavy Atoms | 43 |
| Complexity | 1090.0 |
| Melting Point | >254°C |
| Solubility | soluble |
Chemical Identifiers
| CAS Number | 59017-64-0 |
|---|---|
| SMILES | CC(=O)N(C)C1=C(C(=C(C(=C1I)C(=O)NCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)C(=O)NCCO)I)I)C(=O)NC)I |
| InChIKey | TYYBFXNZMFNZJT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘克酸 (CAS 59017-64-0), with molecular formula C24H21I6N5O8 and molecular weight 1268.57 g/mol. IUPAC: 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid.
Chemical Property Profile of 碘克酸
Property Insights of 碘克酸
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘克酸. The TPSA of 194.0 Ų indicates high polarity, suggesting 碘克酸 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ioxaglic Acid has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ioxaglic Acid?
The CAS number of Ioxaglic Acid is 59017-64-0.
What is the molecular formula of Ioxaglic Acid?
The molecular formula of Ioxaglic Acid is C24H21I6N5O8.
What is the molecular weight of Ioxaglic Acid?
The molecular weight of Ioxaglic Acid is 1268.57 g/mol.
Where can I buy Ioxaglic Acid?
You can request a quote for Ioxaglic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ioxaglic Acid?
Yes, KEHONG BIO provides custom synthesis services for Ioxaglic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.