EINECS 268-177-9
TL;DR: EINECS 268-177-9 (CAS 68025-18-3) is a chemical compound with molecular formula C52H72N14Na2O22S4 and molecular weight 1418.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate
Also Known As: EINECS 268-177-9, Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, disodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2), Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis(5-((4-(bis(2-hydroxyethyl)amino)-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-, sodium salt, compd. with 2,2',2''-nitrilotris(ethanol) (1:2:2), 4,4'-Bis((4-(bis(2-hydroxyethyl)amino)-6-((3-sulphophenyl)amino)-1,3,5-triazin-2-yl)amino)stilbene-2,2'-disulphonic acid, disodium salt, compound with 2,2',2''-nitrilotriethanol (1:2), 4,4'-bis[[4-[bis(2-hydroxyethyl)amino]-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid, disodium salt, compound with 2,2',2''-nitrilotriethanol (1:2)
| Molecular Formula | C52H72N14Na2O22S4 |
|---|---|
| Molecular Weight | 1418.36 g/mol |
| LogP | -8.3764 |
| Topological Polar Surface Area | 563.86 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 34 |
| Rotatable Bonds | 36 |
| Exact Mass | 1418.3624 |
| Heavy Atoms | 94 |
| Complexity | 3524.3574 |
Chemical Identifiers
| CAS Number | 68025-18-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)NC2=NC(=NC(=N2)N(CCO)CCO)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-])N(CCO)CCO)S(=O)(=O)[O-])S(=O)(=O)O.C(CO)N(CCO)CCO.C(CO)N(CCO)CCO.[Na+].[Na+] |
Product Overview
EINECS 268-177-9 (CAS 68025-18-3), with molecular formula C52H72N14Na2O22S4 and molecular weight 1418.36 g/mol. IUPAC: disodium;bis(2-[bis(2-hydroxyethyl)amino]ethanol);2-[(E)-2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]ethenyl]-5-[[4-[bis(2-hydroxyethyl)amino]-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]benzenesulfonate.
Chemical Property Profile of EINECS 268-177-9
Property Insights of EINECS 268-177-9
The XLogP value of -8.3764 indicates that EINECS 268-177-9 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 563.86 Ų indicates high polarity, suggesting EINECS 268-177-9 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-177-9 has 16 hydrogen bond donor(s) and 34 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-177-9?
The CAS number of EINECS 268-177-9 is 68025-18-3.
What is the molecular formula of EINECS 268-177-9?
The molecular formula of EINECS 268-177-9 is C52H72N14Na2O22S4.
What is the molecular weight of EINECS 268-177-9?
The molecular weight of EINECS 268-177-9 is 1418.36 g/mol.
Where can I buy EINECS 268-177-9?
You can request a quote for EINECS 268-177-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-177-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-177-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.