碘克沙酸葡甲胺盐
TL;DR: 碘克沙酸葡甲胺盐 (CAS 29288-99-1) is a chemical compound with molecular formula C19H28I3N3O10 and molecular weight 838.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘克沙酸葡甲胺盐
3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Ioxithalamate methylglucamine, MEGLUMINE IOXITHALAMATE, 1-Deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoate, 3-[(1-Hydroxyethylidene)amino]-5-{hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodobenzoic acid--1-deoxy-1-(methylamino)hexitol (1/1), 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol
| Molecular Formula | C19H28I3N3O10 |
|---|---|
| Molecular Weight | 838.89 g/mol |
| LogP | -1.48 |
| Topological Polar Surface Area | 229.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 11 |
| Exact Mass | 838.8909 |
| Heavy Atoms | 35 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 29288-99-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NCCO)I.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | IFTFXKNYTWAOGK-UHFFFAOYSA-N |
Product Overview
碘克沙酸葡甲胺盐 (CAS 29288-99-1), with molecular formula C19H28I3N3O10 and molecular weight 838.89 g/mol. IUPAC: 3-acetamido-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of 碘克沙酸葡甲胺盐
Property Insights of 碘克沙酸葡甲胺盐
The XLogP value of -1.48 indicates that 碘克沙酸葡甲胺盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 229.0 Ų indicates high polarity, suggesting 碘克沙酸葡甲胺盐 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 碘克沙酸葡甲胺盐 has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 碘克沙酸葡甲胺盐?
The CAS number of 碘克沙酸葡甲胺盐 is 29288-99-1.
What is the molecular formula of 碘克沙酸葡甲胺盐?
The molecular formula of 碘克沙酸葡甲胺盐 is C19H28I3N3O10.
What is the molecular weight of 碘克沙酸葡甲胺盐?
The molecular weight of 碘克沙酸葡甲胺盐 is 838.89 g/mol.
Where can I buy 碘克沙酸葡甲胺盐?
You can request a quote for 碘克沙酸葡甲胺盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘克沙酸葡甲胺盐?
Yes, KEHONG BIO provides custom synthesis services for 碘克沙酸葡甲胺盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.