碘昔仑
TL;DR: 碘昔仑 (CAS 107793-72-6) is a chemical compound with molecular formula C18H24I3N3O8 and molecular weight 790.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘昔仑
5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: ioxilan, Oxilan, Ioxitol, Ioxilane, Ioxilanum
| Molecular Formula | C18H24I3N3O8 |
|---|---|
| Molecular Weight | 790.87 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 180.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 790.8698 |
| Heavy Atoms | 32 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 107793-72-6 |
|---|---|
| SMILES | CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCCO)I |
| InChIKey | UUMLTINZBQPNGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘昔仑 (CAS 107793-72-6), with molecular formula C18H24I3N3O8 and molecular weight 790.87 g/mol. IUPAC: 5-[acetyl(2,3-dihydroxypropyl)amino]-3-N-(2,3-dihydroxypropyl)-1-N-(2-hydroxyethyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of 碘昔仑
Property Insights of 碘昔仑
The XLogP value of -2.4 indicates that 碘昔仑 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 180.0 Ų indicates high polarity, suggesting 碘昔仑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ioxilan has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ioxilan?
The CAS number of Ioxilan is 107793-72-6.
What is the molecular formula of Ioxilan?
The molecular formula of Ioxilan is C18H24I3N3O8.
What is the molecular weight of Ioxilan?
The molecular weight of Ioxilan is 790.87 g/mol.
Where can I buy Ioxilan?
You can request a quote for Ioxilan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ioxilan?
Yes, KEHONG BIO provides custom synthesis services for Ioxilan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.