碘曲仑
TL;DR: 碘曲仑 (CAS 79770-24-4) is a chemical compound with molecular formula C37H48I6N6O18 and molecular weight 1625.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘曲仑
2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide
Also Known As: iotrolan, Iotrol, Isovist, Iotrovist, Osmovist
| Molecular Formula | C37H48I6N6O18 |
|---|---|
| Molecular Weight | 1625.73 g/mol |
| LogP | -4.2 |
| Topological Polar Surface Area | 400.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 24 |
| Exact Mass | 1625.7292 |
| Heavy Atoms | 67 |
| Complexity | 1450.0 |
Chemical Identifiers
| CAS Number | 79770-24-4 |
|---|---|
| SMILES | CN(C1=C(C(=C(C(=C1I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I)C(=O)CC(=O)N(C)C2=C(C(=C(C(=C2I)C(=O)NC(CO)C(CO)O)I)C(=O)NC(CO)C(CO)O)I |
| InChIKey | XUHXFSYUBXNTHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘曲仑 (CAS 79770-24-4), with molecular formula C37H48I6N6O18 and molecular weight 1625.73 g/mol. IUPAC: 2,4,6-triiodo-5-[methyl-[3-oxo-3-[2,4,6-triiodo-N-methyl-3,5-bis(1,3,4-trihydroxybutan-2-ylcarbamoyl)anilino]propanoyl]amino]-1-N,3-N-bis(1,3,4-trihydroxybutan-2-yl)benzene-1,3-dicarboxamide.
Chemical Property Profile of 碘曲仑
Property Insights of 碘曲仑
The XLogP value of -4.2 indicates that 碘曲仑 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 400.0 Ų indicates high polarity, suggesting 碘曲仑 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iotrolan has 16 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iotrolan?
The CAS number of Iotrolan is 79770-24-4.
What is the molecular formula of Iotrolan?
The molecular formula of Iotrolan is C37H48I6N6O18.
What is the molecular weight of Iotrolan?
The molecular weight of Iotrolan is 1625.73 g/mol.
Where can I buy Iotrolan?
You can request a quote for Iotrolan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iotrolan?
Yes, KEHONG BIO provides custom synthesis services for Iotrolan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.