RefChem:1058912
TL;DR: RefChem:1058912 (CAS 25198-37-2) is a chemical compound with molecular formula C44H32N12Na4O14S4 and molecular weight 1172.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: TC 17, 2,2'-Stilbenedisulfonic acid, 4,4'-bis((4-(o-hydroxyanilino)-6-(m-sulfoanilino)-s-triazin-2-yl)amino)-, tetrasodium salt, 4,4'-Bis(2-o-oxyanilino-4-m-sulfoanilino-1,3,5-triazyl-6)stilbene-disulfonate-2,2', Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-((2-hydroxyphenyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, tetrasodium salt, tetrasodium 5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
| Molecular Formula | C44H32N12Na4O14S4 |
|---|---|
| Molecular Weight | 1172.06 g/mol |
| LogP | -6.2678 |
| Topological Polar Surface Area | 418.78 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 18 |
| Exact Mass | 1172.0635 |
| Heavy Atoms | 78 |
| Complexity | 3752.636 |
Chemical Identifiers
| CAS Number | 25198-37-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NC2=NC(=NC(=N2)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC(=CC=C6)S(=O)(=O)[O-])NC7=CC=CC=C7O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC(=CC=C8)S(=O)(=O)[O-])O.[Na+].[Na+].[Na+].[Na+] |
Product Overview
RefChem:1058912 (CAS 25198-37-2), with molecular formula C44H32N12Na4O14S4 and molecular weight 1172.06 g/mol. IUPAC: tetrasodium;5-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4-(2-hydroxyanilino)-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:1058912
Property Insights of RefChem:1058912
The XLogP value of -6.2678 indicates that RefChem:1058912 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 418.78 Ų indicates high polarity, suggesting RefChem:1058912 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058912 has 8 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1058912?
The CAS number of RefChem:1058912 is 25198-37-2.
What is the molecular formula of RefChem:1058912?
The molecular formula of RefChem:1058912 is C44H32N12Na4O14S4.
What is the molecular weight of RefChem:1058912?
The molecular weight of RefChem:1058912 is 1172.06 g/mol.
Where can I buy RefChem:1058912?
You can request a quote for RefChem:1058912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058912?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.