Iothalamate meglumine
TL;DR: Iothalamate meglumine (CAS 13087-53-1) is a chemical compound with molecular formula C18H26I3N3O9 and molecular weight 808.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: Iothalamate meglumine, Vascoray, Conray, Conray meglumin, Cysto-Conray
| Molecular Formula | C18H26I3N3O9 |
|---|---|
| Molecular Weight | 808.88 g/mol |
| LogP | -0.84 |
| Topological Polar Surface Area | 209.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 808.8803 |
| Heavy Atoms | 33 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 13087-53-1 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I.CNCC(C(C(C(CO)O)O)O)O |
| InChIKey | VLHUSFYMPUDOEL-UHFFFAOYSA-N |
Product Overview
Iothalamate meglumine (CAS 13087-53-1), with molecular formula C18H26I3N3O9 and molecular weight 808.88 g/mol. IUPAC: 3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid;6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Iothalamate meglumine
Property Insights of Iothalamate meglumine
The XLogP value of -0.84 indicates that Iothalamate meglumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 209.0 Ų indicates high polarity, suggesting Iothalamate meglumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iothalamate meglumine has 9 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 Iothalamate meglumine?
The CAS number of Iothalamate meglumine is 13087-53-1.
What is the molecular formula of Iothalamate meglumine?
The molecular formula of Iothalamate meglumine is C18H26I3N3O9.
What is the molecular weight of Iothalamate meglumine?
The molecular weight of Iothalamate meglumine is 808.88 g/mol.
Where can I buy Iothalamate meglumine?
You can request a quote for Iothalamate meglumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iothalamate meglumine?
Yes, KEHONG BIO provides custom synthesis services for Iothalamate meglumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.