EINECS 257-939-6
TL;DR: EINECS 257-939-6 (CAS 52499-86-2) is a chemical compound with molecular formula C32H21N8Na3O11S3 and molecular weight 858.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;(3Z)-5-amino-3-[[4-[[4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate
Also Known As: EINECS 257-939-6, EINECS 257-967-9, 2,7-Naphthalenedisulfonic acid, 5-amino-3-((4-((4-((6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)azo)phenyl)azo)-4-hydroxy-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-amino-3-(2-(4-(2-(4-(2-(6-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)phenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3), 2,7-Naphthalenedisulfonic acid, 5-amino-3-[[4-[[4-[(6-amino- 1-hydroxy-3-sulfo-2-naphthalenyl)azo]phenyl]azo ]phenyl]azo]-4-hydroxy-, trisodium salt
| Molecular Formula | C32H21N8Na3O11S3 |
|---|---|
| Molecular Weight | 858.02 g/mol |
| LogP | -5.7165 |
| Topological Polar Surface Area | 331.28 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 9 |
| Exact Mass | 858.0185 |
| Heavy Atoms | 57 |
| Complexity | 2795.2925 |
Chemical Identifiers
| CAS Number | 52499-86-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N/N=C\2/C(=CC3=C(C2=O)C=CC(=C3)N)S(=O)(=O)[O-])N=NC4=CC=C(C=C4)N/N=C/5\C(=CC6=C(C5=O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
Product Overview
EINECS 257-939-6 (CAS 52499-86-2), with molecular formula C32H21N8Na3O11S3 and molecular weight 858.02 g/mol. IUPAC: trisodium;(3Z)-5-amino-3-[[4-[[4-[(2E)-2-(6-amino-1-oxo-3-sulfonatonaphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 257-939-6
Property Insights of EINECS 257-939-6
The XLogP value of -5.7165 indicates that EINECS 257-939-6 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.28 Ų indicates high polarity, suggesting EINECS 257-939-6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 257-939-6 has 4 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 257-939-6?
The CAS number of EINECS 257-939-6 is 52499-86-2.
What is the molecular formula of EINECS 257-939-6?
The molecular formula of EINECS 257-939-6 is C32H21N8Na3O11S3.
What is the molecular weight of EINECS 257-939-6?
The molecular weight of EINECS 257-939-6 is 858.02 g/mol.
Where can I buy EINECS 257-939-6?
You can request a quote for EINECS 257-939-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 257-939-6?
Yes, KEHONG BIO provides custom synthesis services for EINECS 257-939-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.