RefChem:563990
TL;DR: RefChem:563990 (CAS 71230-67-6) is a chemical compound with molecular formula C40H42K2N12O10S2 and molecular weight 992.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-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-(phenylamino)-1,3,5-triazin-2-yl]amino]-, dipotassium salt, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-(phenylamino)-1,3,5-triazin-2-yl)amino)-, dipotassium salt, Dipotassium 2,2'-(ethene-1,2-diyl)bis[5-({4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonate], Dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate, RefChem:563990
| Molecular Formula | C40H42K2N12O10S2 |
|---|---|
| Molecular Weight | 992.19 g/mol |
| LogP | -3.4004 |
| Topological Polar Surface Area | 344.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 20 |
| Exact Mass | 992.1862 |
| Heavy Atoms | 66 |
| Complexity | 1470.0 |
Chemical Identifiers
| CAS Number | 71230-67-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=NC(=NC(=N2)N(CCO)CCO)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+] |
| InChIKey | CEFUNLRFHCXGOO-UHFFFAOYSA-L |
Product Overview
RefChem:563990 (CAS 71230-67-6), with molecular formula C40H42K2N12O10S2 and molecular weight 992.19 g/mol. IUPAC: dipotassium;5-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[2-[4-[[4-anilino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of RefChem:563990
Property Insights of RefChem:563990
The XLogP value of -3.4004 indicates that RefChem:563990 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 344.0 Ų indicates high polarity, suggesting RefChem:563990 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:563990 has 8 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 RefChem:563990?
The CAS number of RefChem:563990 is 71230-67-6.
What is the molecular formula of RefChem:563990?
The molecular formula of RefChem:563990 is C40H42K2N12O10S2.
What is the molecular weight of RefChem:563990?
The molecular weight of RefChem:563990 is 992.19 g/mol.
Where can I buy RefChem:563990?
You can request a quote for RefChem:563990 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:563990?
Yes, KEHONG BIO provides custom synthesis services for RefChem:563990 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.