CTK4E3495
TL;DR: CTK4E3495 (CAS 20182-56-3) is a chemical compound with molecular formula C36H32N12Na4O14S4 and molecular weight 1076.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt, Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,sodium salt (1:4), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, sodium salt (1:4), Tetrasodium 2,2'-(ethene-1,2-diyl)bis[5-({4-[(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)benzene-1-sulfonate]
| Molecular Formula | C36H32N12Na4O14S4 |
|---|---|
| Molecular Weight | 1076.06 g/mol |
| LogP | -10.3578 |
| Topological Polar Surface Area | 452.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 16 |
| Exact Mass | 1076.0635 |
| Heavy Atoms | 70 |
| Complexity | 1810.0 |
Chemical Identifiers
| CAS Number | 20182-56-3 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)NCCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=C(C=C6)S(=O)(=O)[O-])NCCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KBBXVSKGGMXRTL-UHFFFAOYSA-J |
Product Overview
CTK4E3495 (CAS 20182-56-3), with molecular formula C36H32N12Na4O14S4 and molecular weight 1076.06 g/mol. IUPAC: tetrasodium;5-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-(2-hydroxyethylamino)-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of CTK4E3495
Property Insights of CTK4E3495
The XLogP value of -10.3578 indicates that CTK4E3495 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 452.0 Ų indicates high polarity, suggesting CTK4E3495 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4E3495 has 8 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 CTK4E3495?
The CAS number of CTK4E3495 is 20182-56-3.
What is the molecular formula of CTK4E3495?
The molecular formula of CTK4E3495 is C36H32N12Na4O14S4.
What is the molecular weight of CTK4E3495?
The molecular weight of CTK4E3495 is 1076.06 g/mol.
Where can I buy CTK4E3495?
You can request a quote for CTK4E3495 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4E3495?
Yes, KEHONG BIO provides custom synthesis services for CTK4E3495 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.