Iotasul
TL;DR: Iotasul (CAS 71767-13-0) is a chemical compound with molecular formula C38H50I6N6O14S and molecular weight 1607.74 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Also Known As: Iotasul, Iotasulum, Iotasul [USAN:INN], Iotasulum [INN-Latin], Iotasul (USAN/INN)
| Molecular Formula | C38H50I6N6O14S |
|---|---|
| Molecular Weight | 1607.74 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 327.0 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 24 |
| Exact Mass | 1607.7374 |
| Heavy Atoms | 65 |
| Complexity | 1390.0 |
Chemical Identifiers
| CAS Number | 71767-13-0 |
|---|---|
| SMILES | CN(CC(CO)O)C(=O)C1=C(C(=C(C(=C1I)NC(=O)CCSCCC(=O)NC2=C(C(=C(C(=C2I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I)I)C(=O)N(C)CC(CO)O)I |
| InChIKey | OQHLOKBHRXMXLD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iotasul (CAS 71767-13-0), with molecular formula C38H50I6N6O14S and molecular weight 1607.74 g/mol. IUPAC: 5-[3-[3-[3,5-bis[2,3-dihydroxypropyl(methyl)carbamoyl]-2,4,6-triiodoanilino]-3-oxopropyl]sulfanylpropanoylamino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
Chemical Property Profile of Iotasul
Property Insights of Iotasul
The XLogP value of -1.0 indicates that Iotasul is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 327.0 Ų indicates high polarity, suggesting Iotasul may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iotasul has 10 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 Iotasul?
The CAS number of Iotasul is 71767-13-0.
What is the molecular formula of Iotasul?
The molecular formula of Iotasul is C38H50I6N6O14S.
What is the molecular weight of Iotasul?
The molecular weight of Iotasul is 1607.74 g/mol.
Where can I buy Iotasul?
You can request a quote for Iotasul directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iotasul?
Yes, KEHONG BIO provides custom synthesis services for Iotasul and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.