CTK5C5260
TL;DR: CTK5C5260 (CAS 66813-34-1) is a chemical compound with molecular formula C40H40N12Na2O16S4-2 and molecular weight 1118.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: DISODIUM 5-[[4-(BIS(2-HYDROXYETHYL)AMINO)-6-[(3-SULFONATOPHENYL)AMINO] -1,3,5-TRIAZIN-2-YL]AMINO]-2-[(E)-2-[4-[[4-(BIS(2-HYDROXYETHYL)AMINO)- 6-[(3-SULFONATOPHENYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULFONATO-PHE NYL]VINYL]BENZENESULFONATE
| Molecular Formula | C40H40N12Na2O16S4-2 |
|---|---|
| Molecular Weight | 1118.14 g/mol |
| LogP | -5.5922 |
| Topological Polar Surface Area | 475.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Exact Mass | 1118.1364 |
| Heavy Atoms | 74 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 66813-34-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | LCBNRTVDYLQISA-UHFFFAOYSA-J |
Product Overview
CTK5C5260 (CAS 66813-34-1), with molecular formula C40H40N12Na2O16S4-2 and molecular weight 1118.14 g/mol. IUPAC: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of CTK5C5260
Property Insights of CTK5C5260
The XLogP value of -5.5922 indicates that CTK5C5260 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 475.0 Ų indicates high polarity, suggesting CTK5C5260 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5C5260 has 8 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 CTK5C5260?
The CAS number of CTK5C5260 is 66813-34-1.
What is the molecular formula of CTK5C5260?
The molecular formula of CTK5C5260 is C40H40N12Na2O16S4-2.
What is the molecular weight of CTK5C5260?
The molecular weight of CTK5C5260 is 1118.14 g/mol.
Where can I buy CTK5C5260?
You can request a quote for CTK5C5260 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5C5260?
Yes, KEHONG BIO provides custom synthesis services for CTK5C5260 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.