碘克沙醇
TL;DR: 碘克沙醇 (CAS 92339-11-2) is a chemical compound with molecular formula C35H44I6N6O15 and molecular weight 1549.71 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘克沙醇
5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: iodixanol, Visipaque, Indixanol, Iodixanolum, OptiPrep
| Molecular Formula | C35H44I6N6O15 |
|---|---|
| Molecular Weight | 1549.71 g/mol |
| LogP | -3.4 |
| Topological Polar Surface Area | 339.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 22 |
| Exact Mass | 1549.7133 |
| Heavy Atoms | 62 |
| Complexity | 1330.0 |
| Melting Point | 240-250 °C |
| Density | 1.266 |
| Solubility | Soluble in water |
Chemical Identifiers
| CAS Number | 92339-11-2 |
|---|---|
| SMILES | CC(=O)N(CC(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChIKey | NBQNWMBBSKPBAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘克沙醇 (CAS 92339-11-2), with molecular formula C35H44I6N6O15 and molecular weight 1549.71 g/mol. IUPAC: 5-[acetyl-[3-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2-hydroxypropyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of 碘克沙醇
Property Insights of 碘克沙醇
The XLogP value of -3.4 indicates that 碘克沙醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting 碘克沙醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 碘克沙醇 has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 碘克沙醇?
The CAS number of 碘克沙醇 is 92339-11-2.
What is the molecular formula of 碘克沙醇?
The molecular formula of 碘克沙醇 is C35H44I6N6O15.
What is the molecular weight of 碘克沙醇?
The molecular weight of 碘克沙醇 is 1549.71 g/mol.
Where can I buy 碘克沙醇?
You can request a quote for 碘克沙醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘克沙醇?
Yes, KEHONG BIO provides custom synthesis services for 碘克沙醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.