CTK5F9747
TL;DR: CTK5F9747 (CAS 88-38-0) is a chemical compound with molecular formula C44H36N12O6S2 and molecular weight 892.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid
Also Known As: 5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid, 4,4'-Bis(2,4-dianilino-s-triazin-6-ylamino)-2,2'-stilbenedisulfonic acid, 5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4,6-di, 2,2'-(Ethene-1,2-diyl)bis{5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]benzene-1-sulfonic acid}, Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4,6-bis(phenylamino)-1,3,5-triazin-2-yl]amino]-
| Molecular Formula | C44H36N12O6S2 |
|---|---|
| Molecular Weight | 892.23 g/mol |
| LogP | 9.0 |
| Topological Polar Surface Area | 275.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 16 |
| Exact Mass | 892.23224 |
| Heavy Atoms | 64 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 88-38-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)NC7=CC=CC=C7)S(=O)(=O)O)S(=O)(=O)O)NC8=CC=CC=C8 |
| InChIKey | HRHCYUBSBRXMIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
CTK5F9747 (CAS 88-38-0), with molecular formula C44H36N12O6S2 and molecular weight 892.23 g/mol. IUPAC: 5-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4,6-dianilino-1,3,5-triazin-2-yl)amino]-2-sulfophenyl]ethenyl]benzenesulfonic acid.
Chemical Property Profile of CTK5F9747
Property Insights of CTK5F9747
The XLogP value of 9.0 indicates that CTK5F9747 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 275.0 Ų indicates high polarity, suggesting CTK5F9747 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CTK5F9747 has 8 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CTK5F9747?
The CAS number of CTK5F9747 is 88-38-0.
What is the molecular formula of CTK5F9747?
The molecular formula of CTK5F9747 is C44H36N12O6S2.
What is the molecular weight of CTK5F9747?
The molecular weight of CTK5F9747 is 892.23 g/mol.
Where can I buy CTK5F9747?
You can request a quote for CTK5F9747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CTK5F9747?
Yes, KEHONG BIO provides custom synthesis services for CTK5F9747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.