Iotroxate meglumine
TL;DR: Iotroxate meglumine (CAS 68890-05-1) is a chemical compound with molecular formula C29H35I6N3O14 and molecular weight 1410.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol
Also Known As: iotroxate meglumine, Iotroxamide, Biliscopin, Meglumine iotroxinate, Meglumine iotroxate
| Molecular Formula | C29H35I6N3O14 |
|---|---|
| Molecular Weight | 1410.64 g/mol |
| LogP | 1.98 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 1410.6387 |
| Heavy Atoms | 52 |
| Complexity | 927.0 |
Chemical Identifiers
| CAS Number | 68890-05-1 |
|---|---|
| SMILES | CNC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O.C1=C(C(=C(C(=C1I)NC(=O)COCCOCCOCC(=O)NC2=C(C=C(C(=C2I)C(=O)O)I)I)I)C(=O)O)I |
| InChIKey | WLQIGBUDSUVJCO-WZTVWXICSA-N |
Product Overview
Iotroxate meglumine (CAS 68890-05-1), with molecular formula C29H35I6N3O14 and molecular weight 1410.64 g/mol. IUPAC: 3-[[2-[2-[2-[2-(3-carboxy-2,4,6-triiodoanilino)-2-oxoethoxy]ethoxy]ethoxy]acetyl]amino]-2,4,6-triiodobenzoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol.
Chemical Property Profile of Iotroxate meglumine
Property Insights of Iotroxate meglumine
The XLogP value of 1.98 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iotroxate meglumine. The TPSA of 274.0 Ų indicates high polarity, suggesting Iotroxate meglumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iotroxate meglumine has 10 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iotroxate meglumine?
The CAS number of Iotroxate meglumine is 68890-05-1.
What is the molecular formula of Iotroxate meglumine?
The molecular formula of Iotroxate meglumine is C29H35I6N3O14.
What is the molecular weight of Iotroxate meglumine?
The molecular weight of Iotroxate meglumine is 1410.64 g/mol.
Where can I buy Iotroxate meglumine?
You can request a quote for Iotroxate meglumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iotroxate meglumine?
Yes, KEHONG BIO provides custom synthesis services for Iotroxate meglumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.