CTK4H8336
TL;DR: CTK4H8336 (CAS 37515-76-7) is a chemical compound with molecular formula C42H38N14Na4O14S4 and molecular weight 1182.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-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-cyanoethyl)(2-hydroxyethyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, tetrasodium salt, TETRASODIUM 4,4'-BIS[[4-[(2-CYANOETHYL)(2-HYDROXYETHYL)AMINO]-6-[(4-SULPHONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULPHONATE, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[(2-cyanoethyl)(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-cyanoethyl)(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl}amino)benzene-1-sulfonate]
| Molecular Formula | C42H38N14Na4O14S4 |
|---|---|
| Molecular Weight | 1182.12 g/mol |
| LogP | -9.74144 |
| Topological Polar Surface Area | 482.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Exact Mass | 1182.1166 |
| Heavy Atoms | 78 |
| Complexity | 2160.0 |
Chemical Identifiers
| CAS Number | 37515-76-7 |
|---|---|
| SMILES | C1=CC(=CC=C1NC2=NC(=NC(=N2)N(CCC#N)CCO)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-])N(CCC#N)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | HAMURXQOURMAQS-UHFFFAOYSA-J |
Product Overview
CTK4H8336 (CAS 37515-76-7), with molecular formula C42H38N14Na4O14S4 and molecular weight 1182.12 g/mol. IUPAC: tetrasodium;5-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[2-cyanoethyl(2-hydroxyethyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of CTK4H8336
Property Insights of CTK4H8336
The XLogP value of -9.74144 indicates that CTK4H8336 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 482.0 Ų indicates high polarity, suggesting CTK4H8336 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4H8336 has 6 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4H8336?
The CAS number of CTK4H8336 is 37515-76-7.
What is the molecular formula of CTK4H8336?
The molecular formula of CTK4H8336 is C42H38N14Na4O14S4.
What is the molecular weight of CTK4H8336?
The molecular weight of CTK4H8336 is 1182.12 g/mol.
Where can I buy CTK4H8336?
You can request a quote for CTK4H8336 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4H8336?
Yes, KEHONG BIO provides custom synthesis services for CTK4H8336 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.