CTK1G9875
TL;DR: CTK1G9875 (CAS 52435-15-1) is a chemical compound with molecular formula C38H40N12O8S2 and molecular weight 856.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: 2,2'-(Ethene-1,2-diyl)bis[5-({4-anilino-6-[(2-hydroxyethyl)(methyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonic acid], 4,4'-Bis((6-anilino-4-((2-hydroxyethyl)methylamino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, 4,4'-Bis[[4-anilino-6-[N-(2-hydroxyethyl)-N-methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulfonic acid, 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid, 5-[[4-anilino-6-(2-hydroxyethyl-methyl-amino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-anilino-6-(2-hydroxyethyl-methyl-amino)-1,3,5-triazin-2-yl]amino]-2-sulfo-phenyl]ethenyl]benzenesulfonic acid
| Molecular Formula | C38H40N12O8S2 |
|---|---|
| Molecular Weight | 856.25 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 298.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 18 |
| Exact Mass | 856.25336 |
| Heavy Atoms | 60 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 52435-15-1 |
|---|---|
| SMILES | CN(CCO)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=CC=C5)N(C)CCO)S(=O)(=O)O)S(=O)(=O)O)NC6=CC=CC=C6 |
| InChIKey | WNUUEQSIAHJIGU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK1G9875 (CAS 52435-15-1), with molecular formula C38H40N12O8S2 and molecular weight 856.25 g/mol. IUPAC: 5-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[2-hydroxyethyl(methyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of CTK1G9875
Property Insights of CTK1G9875
The XLogP value of 4.8 indicates that CTK1G9875 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 298.0 Ų indicates high polarity, suggesting CTK1G9875 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK1G9875 has 8 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK1G9875?
The CAS number of CTK1G9875 is 52435-15-1.
What is the molecular formula of CTK1G9875?
The molecular formula of CTK1G9875 is C38H40N12O8S2.
What is the molecular weight of CTK1G9875?
The molecular weight of CTK1G9875 is 856.25 g/mol.
Where can I buy CTK1G9875?
You can request a quote for CTK1G9875 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK1G9875?
Yes, KEHONG BIO provides custom synthesis services for CTK1G9875 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.