CTK4I8414
TL;DR: CTK4I8414 (CAS 4470-72-8) is a chemical compound with molecular formula C30H36N10Na2O12S2 and molecular weight 838.18 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-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-,disodium salt (9CI)
| Molecular Formula | C30H36N10Na2O12S2 |
|---|---|
| Molecular Weight | 838.18 g/mol |
| LogP | -6.8704 |
| Topological Polar Surface Area | 338.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 18 |
| Exact Mass | 838.1751 |
| Heavy Atoms | 56 |
| Complexity | 1220.0 |
Chemical Identifiers
| CAS Number | 4470-72-8 |
|---|---|
| SMILES | COC1=NC(=NC(=N1)N(CCO)CCO)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)OC)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | HYNVEGJIWYGFFL-UHFFFAOYSA-L |
Product Overview
CTK4I8414 (CAS 4470-72-8), with molecular formula C30H36N10Na2O12S2 and molecular weight 838.18 g/mol. IUPAC: disodium;5-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of CTK4I8414
Property Insights of CTK4I8414
The XLogP value of -6.8704 indicates that CTK4I8414 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 338.0 Ų indicates high polarity, suggesting CTK4I8414 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK4I8414 has 6 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK4I8414?
The CAS number of CTK4I8414 is 4470-72-8.
What is the molecular formula of CTK4I8414?
The molecular formula of CTK4I8414 is C30H36N10Na2O12S2.
What is the molecular weight of CTK4I8414?
The molecular weight of CTK4I8414 is 838.18 g/mol.
Where can I buy CTK4I8414?
You can request a quote for CTK4I8414 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK4I8414?
Yes, KEHONG BIO provides custom synthesis services for CTK4I8414 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.