EINECS 288-953-0
TL;DR: EINECS 288-953-0 (CAS 85940-65-4) is a chemical compound with molecular formula C18H13KN2Na2O13S4 and molecular weight 677.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium;disodium;4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: 4-Hydroxy-3-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-2,7-disulphonic acid, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-((4-((2-(sulfoxy)ethyl)sulfonyl)phenyl)azo)-, potassium sodium salt, 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, potassium sodium salt (1:?:?), 2,7-Naphthalenedisulfonic acid, 4-hydroxy-3-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, potassium sodium salt
| Molecular Formula | C18H13KN2Na2O13S4 |
|---|---|
| Molecular Weight | 677.87 g/mol |
| LogP | -7.9685 |
| Topological Polar Surface Area | 293.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 677.8733 |
| Heavy Atoms | 40 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 85940-65-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2=C(C=C3C=C(C=CC3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[K+] |
| InChIKey | AGJCUCNRQYBKFY-UHFFFAOYSA-K |
Product Overview
EINECS 288-953-0 (CAS 85940-65-4), with molecular formula C18H13KN2Na2O13S4 and molecular weight 677.87 g/mol. IUPAC: potassium;disodium;4-hydroxy-3-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 288-953-0
Property Insights of EINECS 288-953-0
The XLogP value of -7.9685 indicates that EINECS 288-953-0 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 293.0 Ų indicates high polarity, suggesting EINECS 288-953-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 288-953-0 has 1 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 288-953-0?
The CAS number of EINECS 288-953-0 is 85940-65-4.
What is the molecular formula of EINECS 288-953-0?
The molecular formula of EINECS 288-953-0 is C18H13KN2Na2O13S4.
What is the molecular weight of EINECS 288-953-0?
The molecular weight of EINECS 288-953-0 is 677.87 g/mol.
Where can I buy EINECS 288-953-0?
You can request a quote for EINECS 288-953-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 288-953-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 288-953-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.