EINECS 222-898-5
TL;DR: EINECS 222-898-5 (CAS 3654-78-2) is a chemical compound with molecular formula C36H50N12Na2O14S2 and molecular weight 984.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate
Also Known As: EINECS 222-898-5, Disodium 4,4'-bis((4,6-bis(bis(2-hydroxyethyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonate, disodium4,4'-bis[[4,6-bis[bis amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate, 4,4'-Bis[2,4-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazine-6-ylamino]stilbene-2,2'-disulfonic acid disodium salt, DISODIUM 4,4'-BIS[[4,6-BIS[BIS(2-HYDROXYETHYL)AMINO]-1,3,5-TRIAZIN-2-YL]AMINO]STILBENE-2,2'-DISULFONATE
| Molecular Formula | C36H50N12Na2O14S2 |
|---|---|
| Molecular Weight | 984.28 g/mol |
| LogP | -9.3056 |
| Topological Polar Surface Area | 390.6 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 28 |
| Exact Mass | 984.28064 |
| Heavy Atoms | 66 |
| Complexity | 2142.768 |
Chemical Identifiers
| CAS Number | 3654-78-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC2=NC(=NC(=N2)N(CCO)CCO)N(CCO)CCO)S(=O)(=O)[O-])/C=C/C3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)N(CCO)CCO)S(=O)(=O)[O-].[Na+].[Na+] |
Product Overview
EINECS 222-898-5 (CAS 3654-78-2), with molecular formula C36H50N12Na2O14S2 and molecular weight 984.28 g/mol. IUPAC: disodium;5-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-[(E)-2-[4-[[4,6-bis[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate.
Chemical Property Profile of EINECS 222-898-5
Property Insights of EINECS 222-898-5
The XLogP value of -9.3056 indicates that EINECS 222-898-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 390.6 Ų indicates high polarity, suggesting EINECS 222-898-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 222-898-5 has 10 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 EINECS 222-898-5?
The CAS number of EINECS 222-898-5 is 3654-78-2.
What is the molecular formula of EINECS 222-898-5?
The molecular formula of EINECS 222-898-5 is C36H50N12Na2O14S2.
What is the molecular weight of EINECS 222-898-5?
The molecular weight of EINECS 222-898-5 is 984.28 g/mol.
Where can I buy EINECS 222-898-5?
You can request a quote for EINECS 222-898-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 222-898-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 222-898-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.