IOXAGLATE MEGLUMINE
TL;DR: IOXAGLATE MEGLUMINE (CAS 59018-13-2) is a chemical compound with molecular formula C31H38I6N6O13 and molecular weight 1463.68 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: IOXAGLATE MEGLUMINE, 3-[(2-{[{3-[Acetyl(methyl)amino]-5-[hydroxy(methylimino)methyl]-2,4,6-triiodophenyl}(hydroxy)methylidene]amino}-1-hydroxyethylidene)amino]-5-{hydroxy[(2-hydroxyethyl)imino]methyl}-2,4,6-triiodobenzoic acid--1-deoxy-1-(methylamino)hexitol (1/1), 3-[(n-{3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl}glycyl)amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid- 1-deoxy-1-(methylamino)hexitol(1:1), 3-[[2-[[3-[acetyl(methyl)amino]-2,4,6-triiodo-5-(methylcarbamoyl)benzoyl]amino]acetyl]amino]-5-(2-hydroxyethylcarbamoyl)-2,4,6-triiodobenzoic acid; 6-(methylamino)hexane-1,2,3,4,5-pentol, 3-{Hydroxy[(2-hydroxyethyl)imino]methyl}-5-({1-hydroxy-2-[(hydroxy{3-[hydroxy(methylimino)methyl]-2,4,6-triiodo-5-(N-methylacetamido)phenyl}methylidene)amino]ethylidene}amino)-2,4,6-triiodobenzoic acid--1-deoxy-1-(methylamino)hexitol (1/1)
| Molecular Formula | C31H38I6N6O13 |
|---|---|
| Molecular Weight | 1463.68 g/mol |
| LogP | 0.09 |
| Topological Polar Surface Area | 307.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 16 |
| Exact Mass | 1463.6765 |
| Heavy Atoms | 56 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 59018-13-2 |
|---|---|
| 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.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | HUHDYASLFWQVOL-UHFFFAOYSA-N |
Product Overview
IOXAGLATE MEGLUMINE (CAS 59018-13-2), with molecular formula C31H38I6N6O13 and molecular weight 1463.68 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;6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of IOXAGLATE MEGLUMINE
Property Insights of IOXAGLATE MEGLUMINE
The XLogP value of 0.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for IOXAGLATE MEGLUMINE. The TPSA of 307.0 Ų indicates high polarity, suggesting IOXAGLATE MEGLUMINE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, IOXAGLATE MEGLUMINE has 12 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of IOXAGLATE MEGLUMINE?
The CAS number of IOXAGLATE MEGLUMINE is 59018-13-2.
What is the molecular formula of IOXAGLATE MEGLUMINE?
The molecular formula of IOXAGLATE MEGLUMINE is C31H38I6N6O13.
What is the molecular weight of IOXAGLATE MEGLUMINE?
The molecular weight of IOXAGLATE MEGLUMINE is 1463.68 g/mol.
Where can I buy IOXAGLATE MEGLUMINE?
You can request a quote for IOXAGLATE MEGLUMINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IOXAGLATE MEGLUMINE?
Yes, KEHONG BIO provides custom synthesis services for IOXAGLATE MEGLUMINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.