碘海醇
TL;DR: 碘海醇 (CAS 66108-95-0) is a chemical compound with molecular formula C19H26I3N3O9 and molecular weight 820.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘海醇
5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: iohexol, Omnipaque, Exypaque, Nycodenz, Iohexolum
| Molecular Formula | C19H26I3N3O9 |
|---|---|
| Molecular Weight | 820.88 g/mol |
| LogP | -3.0 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 12 |
| Exact Mass | 820.8803 |
| Heavy Atoms | 34 |
| Complexity | 653.0 |
| Melting Point | 174-180 °C |
Chemical Identifiers
| CAS Number | 66108-95-0 |
|---|---|
| SMILES | CC(=O)N(CC(CO)O)C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChIKey | NTHXOOBQLCIOLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘海醇 (CAS 66108-95-0), with molecular formula C19H26I3N3O9 and molecular weight 820.88 g/mol. IUPAC: 5-[acetyl(2,3-dihydroxypropyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of 碘海醇
Property Insights of 碘海醇
The XLogP value of -3.0 indicates that 碘海醇 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting 碘海醇 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 碘海醇 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 碘海醇?
The CAS number of 碘海醇 is 66108-95-0.
What is the molecular formula of 碘海醇?
The molecular formula of 碘海醇 is C19H26I3N3O9.
What is the molecular weight of 碘海醇?
The molecular weight of 碘海醇 is 820.88 g/mol.
Where can I buy 碘海醇?
You can request a quote for 碘海醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘海醇?
Yes, KEHONG BIO provides custom synthesis services for 碘海醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.