Iosarcol
TL;DR: Iosarcol (CAS 97702-82-4) is a chemical compound with molecular formula C21H29I3N4O9 and molecular weight 861.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetamido-2,4,6-triiodo-N-methyl-N-[2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-2-oxoethyl]benzamide
Also Known As: Iosarcol, Iosarcolum, Melitrast (TN), Iosarcol [INN], Iosarcolum [INN-Latin]
| Molecular Formula | C21H29I3N4O9 |
|---|---|
| Molecular Weight | 861.91 g/mol |
| LogP | -1.9 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 861.9069 |
| Heavy Atoms | 37 |
| Complexity | 796.0 |
Chemical Identifiers
| CAS Number | 97702-82-4 |
|---|---|
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)N(C)CC(=O)N(C)CC(C(C(C(CO)O)O)O)O)I)NC(=O)C)I |
| InChIKey | IWLIBARWYNRYQO-UHFFFAOYSA-N |
Product Overview
Iosarcol (CAS 97702-82-4), with molecular formula C21H29I3N4O9 and molecular weight 861.91 g/mol. IUPAC: 3,5-diacetamido-2,4,6-triiodo-N-methyl-N-[2-[methyl(2,3,4,5,6-pentahydroxyhexyl)amino]-2-oxoethyl]benzamide.
Chemical Property Profile of Iosarcol
Property Insights of Iosarcol
The XLogP value of -1.9 indicates that Iosarcol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Iosarcol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iosarcol has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iosarcol?
The CAS number of Iosarcol is 97702-82-4.
What is the molecular formula of Iosarcol?
The molecular formula of Iosarcol is C21H29I3N4O9.
What is the molecular weight of Iosarcol?
The molecular weight of Iosarcol is 861.91 g/mol.
Where can I buy Iosarcol?
You can request a quote for Iosarcol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iosarcol?
Yes, KEHONG BIO provides custom synthesis services for Iosarcol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.