Iosimenol
TL;DR: Iosimenol (CAS 21264-77-7) is a chemical compound with molecular formula C31H36I6N6O14 and molecular weight 1477.66 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: Iosimenol, Iosmin, iosimenolum, Iosimenol [INN], BP13 cpd
| Molecular Formula | C31H36I6N6O14 |
|---|---|
| Molecular Weight | 1477.66 g/mol |
| LogP | -3.5 |
| Topological Polar Surface Area | 347.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 20 |
| Exact Mass | 1477.6558 |
| Heavy Atoms | 57 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 21264-77-7 |
|---|---|
| SMILES | C(C(CO)O)NC(=O)C1=C(C(=C(C(=C1I)C(=O)N)I)N(CC(CO)O)C(=O)CC(=O)N(CC(CO)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)N)I)I |
| InChIKey | DLPPIGPJCKKVBA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iosimenol (CAS 21264-77-7), with molecular formula C31H36I6N6O14 and molecular weight 1477.66 g/mol. IUPAC: 5-[[3-[3-carbamoyl-N-(2,3-dihydroxypropyl)-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-3-oxopropanoyl]-(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of Iosimenol
Property Insights of Iosimenol
The XLogP value of -3.5 indicates that Iosimenol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 347.0 Ų indicates high polarity, suggesting Iosimenol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iosimenol 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 Iosimenol?
The CAS number of Iosimenol is 21264-77-7.
What is the molecular formula of Iosimenol?
The molecular formula of Iosimenol is C31H36I6N6O14.
What is the molecular weight of Iosimenol?
The molecular weight of Iosimenol is 1477.66 g/mol.
Where can I buy Iosimenol?
You can request a quote for Iosimenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iosimenol?
Yes, KEHONG BIO provides custom synthesis services for Iosimenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.