CTK1D5829
TL;DR: CTK1D5829 (CAS 47910-88-3) is a chemical compound with molecular formula C36H36N12O14S4 and molecular weight 988.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: 2,2a(2)-(1,2-Ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]benzenesulfonic acid], 4,4'-Bis((4-((2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, 4,4'-bis[[4-[(2-Hydroxyethyl)amino]-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid, 5-[[4-(2-hydroxyethylamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyethylamino)-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
| Molecular Formula | C36H36N12O14S4 |
|---|---|
| Molecular Weight | 988.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 441.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 20 |
| Exact Mass | 988.1357 |
| Heavy Atoms | 66 |
| Complexity | 1880.0 |
Chemical Identifiers
| CAS Number | 47910-88-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)O)NCCO)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | BCSZQTDMXPAYQX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK1D5829 (CAS 47910-88-3), with molecular formula C36H36N12O14S4 and molecular weight 988.14 g/mol. IUPAC: 5-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of CTK1D5829
Property Insights of CTK1D5829
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CTK1D5829. The TPSA of 441.0 Ų indicates high polarity, suggesting CTK1D5829 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1D5829 has 12 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1D5829?
The CAS number of CTK1D5829 is 47910-88-3.
What is the molecular formula of CTK1D5829?
The molecular formula of CTK1D5829 is C36H36N12O14S4.
What is the molecular weight of CTK1D5829?
The molecular weight of CTK1D5829 is 988.14 g/mol.
Where can I buy CTK1D5829?
You can request a quote for CTK1D5829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1D5829?
Yes, KEHONG BIO provides custom synthesis services for CTK1D5829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.