ioversol
TL;DR: ioversol (CAS 133443-72-8) is a chemical compound with molecular formula C18H24I3N3O9 and molecular weight 806.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-N,3-N-bis[(2R)-2,3-dihydroxypropyl]-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: ioversol, CAS-87771-40-2, 1,3-Benzenedicarboxamide,N,N'-bis -5-[ amino]-2,4,6-triiodo-, - -, 1-N,3-N-bis[(2R)-2,3-dihydroxypropyl]-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide
| Molecular Formula | C18H24I3N3O9 |
|---|---|
| Molecular Weight | 806.86 g/mol |
| LogP | -2.016 |
| Topological Polar Surface Area | 199.89 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 806.8647 |
| Heavy Atoms | 33 |
| Complexity | 819.2927 |
Chemical Identifiers
| CAS Number | 133443-72-8 |
|---|---|
| SMILES | C(CO)N(C1=C(C(=C(C(=C1I)C(=O)NC[C@H](CO)O)I)C(=O)NC[C@H](CO)O)I)C(=O)CO |
Product Overview
ioversol (CAS 133443-72-8), with molecular formula C18H24I3N3O9 and molecular weight 806.86 g/mol. IUPAC: 1-N,3-N-bis[(2R)-2,3-dihydroxypropyl]-5-[(2-hydroxyacetyl)-(2-hydroxyethyl)amino]-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of ioversol
Property Insights of ioversol
The XLogP value of -2.016 indicates that ioversol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 199.89 Ų indicates high polarity, suggesting ioversol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ioversol has 8 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 ioversol?
The CAS number of ioversol is 133443-72-8.
What is the molecular formula of ioversol?
The molecular formula of ioversol is C18H24I3N3O9.
What is the molecular weight of ioversol?
The molecular weight of ioversol is 806.86 g/mol.
Where can I buy ioversol?
You can request a quote for ioversol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ioversol?
Yes, KEHONG BIO provides custom synthesis services for ioversol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.