Compound 2-5410-4A
TL;DR: Compound 2-5410-4A (CAS 92339-08-7) is a chemical compound with molecular formula C36H46I6N6O16 and molecular weight 1579.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide
Also Known As: Compound 2-5410-4A, 5-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide, 5-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl), 1,3-Benzenedicarboxamide, 5,5'-((2,3-dihydroxy-1,4-butanediyl)bis(acetylimino))bis(N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-, RefChem:127635
| Molecular Formula | C36H46I6N6O16 |
|---|---|
| Molecular Weight | 1579.72 g/mol |
| LogP | -4.0 |
| Topological Polar Surface Area | 359.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 23 |
| Exact Mass | 1579.7239 |
| Heavy Atoms | 64 |
| Complexity | 1380.0 |
Chemical Identifiers
| CAS Number | 92339-08-7 |
|---|---|
| SMILES | CC(=O)N(CC(C(CN(C1=C(C(=C(C(=C1I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I)C(=O)C)O)O)C2=C(C(=C(C(=C2I)C(=O)NCC(CO)O)I)C(=O)NCC(CO)O)I |
| InChIKey | XRSOBLNKWMHJOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Compound 2-5410-4A (CAS 92339-08-7), with molecular formula C36H46I6N6O16 and molecular weight 1579.72 g/mol. IUPAC: 5-[acetyl-[4-[N-acetyl-3,5-bis(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodoanilino]-2,3-dihydroxybutyl]amino]-1-N,3-N-bis(2,3-dihydroxypropyl)-2,4,6-triiodobenzene-1,3-dicarboxamide.
Chemical Property Profile of Compound 2-5410-4A
Property Insights of Compound 2-5410-4A
The XLogP value of -4.0 indicates that Compound 2-5410-4A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 359.0 Ų indicates high polarity, suggesting Compound 2-5410-4A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Compound 2-5410-4A has 14 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Compound 2-5410-4A?
The CAS number of Compound 2-5410-4A is 92339-08-7.
What is the molecular formula of Compound 2-5410-4A?
The molecular formula of Compound 2-5410-4A is C36H46I6N6O16.
What is the molecular weight of Compound 2-5410-4A?
The molecular weight of Compound 2-5410-4A is 1579.72 g/mol.
Where can I buy Compound 2-5410-4A?
You can request a quote for Compound 2-5410-4A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Compound 2-5410-4A?
Yes, KEHONG BIO provides custom synthesis services for Compound 2-5410-4A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.