KST-1B3551
TL;DR: KST-1B3551 (CAS 35944-01-5) is a chemical compound with molecular formula C20H28I3N3O8 and molecular weight 818.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide
Also Known As: KST-1B3551, 1,3-Benzenedicarboxamide, 5-(acetyl(2-hydroxyethyl)amino)-N,N'-bis(2,3-dihydroxypropyl)-N,N'-dimethyl-2,4,6-triiodo-, 5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide, 5-[Acetyl(2-hydroxyethyl)amino]-N~1~,N~3~-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide, N~1~,N~3~-Bis(2,3-dihydroxypropyl)-5-[N-(2-hydroxyethyl)acetamido]-2,4,6-triiodo-N~1~,N~3~-dimethylbenzene-1,3-dicarboxamide
| Molecular Formula | C20H28I3N3O8 |
|---|---|
| Molecular Weight | 818.90 g/mol |
| LogP | -2.3 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 818.9011 |
| Heavy Atoms | 34 |
| Complexity | 662.0 |
Chemical Identifiers
| CAS Number | 35944-01-5 |
|---|---|
| SMILES | CC(=O)N(CCO)C1=C(C(=C(C(=C1I)C(=O)N(C)CC(CO)O)I)C(=O)N(C)CC(CO)O)I |
| InChIKey | FJOILPFCKCMXRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KST-1B3551 (CAS 35944-01-5), with molecular formula C20H28I3N3O8 and molecular weight 818.90 g/mol. IUPAC: 5-[acetyl(2-hydroxyethyl)amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1-N,3-N-dimethylbenzene-1,3-dicarboxamide.
Chemical Property Profile of KST-1B3551
Property Insights of KST-1B3551
The XLogP value of -2.3 indicates that KST-1B3551 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.0 Ų indicates high polarity, suggesting KST-1B3551 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, KST-1B3551 has 5 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of KST-1B3551?
The CAS number of KST-1B3551 is 35944-01-5.
What is the molecular formula of KST-1B3551?
The molecular formula of KST-1B3551 is C20H28I3N3O8.
What is the molecular weight of KST-1B3551?
The molecular weight of KST-1B3551 is 818.90 g/mol.
Where can I buy KST-1B3551?
You can request a quote for KST-1B3551 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1B3551?
Yes, KEHONG BIO provides custom synthesis services for KST-1B3551 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.