EINECS 287-728-4
TL;DR: EINECS 287-728-4 (CAS 85567-16-4) is a chemical compound with molecular formula C25H18N3Na3O14S4 and molecular weight 780.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-benzamido-5-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonate
Also Known As: 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-, sodium salt, 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-, sodium salt (1:?), 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy-6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-, sodium salt, 1,7-Naphthalenedisulfonic acid, 4-(benzoylamino)-5-hydroxy- 6-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]- , sodium salt, 4-(Benzoylamino)-5-hydroxy-6-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)naphthalene-1,7-disulphonic acid, sodium salt
| Molecular Formula | C25H18N3Na3O14S4 |
|---|---|
| Molecular Weight | 780.94 g/mol |
| LogP | -6.7162 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 780.93646 |
| Heavy Atoms | 49 |
| Complexity | 1490.0 |
Chemical Identifiers
| CAS Number | 85567-16-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)[O-])C=C(C(=C3O)N=NC4=CC=C(C=C4)S(=O)(=O)CCOS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | GHSCBOMGKPGSRI-UHFFFAOYSA-K |
Product Overview
EINECS 287-728-4 (CAS 85567-16-4), with molecular formula C25H18N3Na3O14S4 and molecular weight 780.94 g/mol. IUPAC: trisodium;4-benzamido-5-hydroxy-6-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]naphthalene-1,7-disulfonate.
Chemical Property Profile of EINECS 287-728-4
Property Insights of EINECS 287-728-4
The XLogP value of -6.7162 indicates that EINECS 287-728-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.0 Ų indicates high polarity, suggesting EINECS 287-728-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-728-4 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 287-728-4?
The CAS number of EINECS 287-728-4 is 85567-16-4.
What is the molecular formula of EINECS 287-728-4?
The molecular formula of EINECS 287-728-4 is C25H18N3Na3O14S4.
What is the molecular weight of EINECS 287-728-4?
The molecular weight of EINECS 287-728-4 is 780.94 g/mol.
Where can I buy EINECS 287-728-4?
You can request a quote for EINECS 287-728-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-728-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-728-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.