RefChem:117769
TL;DR: RefChem:117769 (CAS 49831-05-2) is a chemical compound with molecular formula C44H48K2N12Na2O16S4 and molecular weight 1252.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;disodium;5-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-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-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, dipotassium disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, dipotassium disodium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxypropyl)amino)-6-((4-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, potassium sodium salt (1:2:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-, potassium sodium salt (1:2:2), Benzenesulfonic acid,2,2'-(1,2-ethenediyl)bis[5-[[4-[bis(2-hydroxypropyl)amino]-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-,potassium sodium salt (1:2:2)
| Molecular Formula | C44H48K2N12Na2O16S4 |
|---|---|
| Molecular Weight | 1252.13 g/mol |
| LogP | -10.0302 |
| Topological Polar Surface Area | 475.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 20 |
| Exact Mass | 1252.1263 |
| Heavy Atoms | 80 |
| Complexity | 2070.0 |
Chemical Identifiers
| CAS Number | 49831-05-2 |
|---|---|
| SMILES | CC(CN(CC(C)O)C1=NC(=NC(=N1)NC2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)NC4=NC(=NC(=N4)NC5=CC=C(C=C5)S(=O)(=O)[O-])N(CC(C)O)CC(C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC6=CC=C(C=C6)S(=O)(=O)[O-])O.[Na+].[Na+].[K+].[K+] |
| InChIKey | JZTCJJWQJRZIEV-UHFFFAOYSA-J |
Product Overview
RefChem:117769 (CAS 49831-05-2), with molecular formula C44H48K2N12Na2O16S4 and molecular weight 1252.13 g/mol. IUPAC: dipotassium;disodium;5-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-[bis(2-hydroxypropyl)amino]-6-(4-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:117769
Property Insights of RefChem:117769
The XLogP value of -10.0302 indicates that RefChem:117769 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 475.0 Ų indicates high polarity, suggesting RefChem:117769 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117769 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 RefChem:117769?
The CAS number of RefChem:117769 is 49831-05-2.
What is the molecular formula of RefChem:117769?
The molecular formula of RefChem:117769 is C44H48K2N12Na2O16S4.
What is the molecular weight of RefChem:117769?
The molecular weight of RefChem:117769 is 1252.13 g/mol.
Where can I buy RefChem:117769?
You can request a quote for RefChem:117769 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117769?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117769 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.