EINECS 287-731-0
TL;DR: EINECS 287-731-0 (CAS 85567-18-6) is a chemical compound with molecular formula C24H18N3Na3O14S4 and molecular weight 768.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-acetamido-4-hydroxy-3-[[8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-((8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)azo)-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-(2-(8-((2-(sulfooxy)ethyl)sulfonyl)-2-naphthalenyl)diazenyl)-, sodium salt (1:?), 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy-3-[[8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl]azo]-, sodium salt, 2,7-Naphthalenedisulfonic acid, 5-(acetylamino)-4-hydroxy- 3-[[8-[[2-(sulfooxy)ethyl]sulfonyl]-2-naphthalenyl ]azo]-, sodium salt, 5-(Acetamido)-4-hydroxy-3-((8-((2-(sulphooxy)ethyl)sulphonyl)-2-naphthyl)azo)naphthalene-2,7-disulphonic acid, sodium salt
| Molecular Formula | C24H18N3Na3O14S4 |
|---|---|
| Molecular Weight | 768.94 g/mol |
| LogP | -6.8569 |
| Topological Polar Surface Area | 323.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 768.93646 |
| Heavy Atoms | 48 |
| Complexity | 1500.0 |
Chemical Identifiers
| CAS Number | 85567-18-6 |
|---|---|
| SMILES | CC(=O)NC1=C2C(=CC(=C1)S(=O)(=O)[O-])C=C(C(=C2O)N=NC3=CC4=C(C=CC=C4S(=O)(=O)CCOS(=O)(=O)[O-])C=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | LFGFNDGXSMOXBV-UHFFFAOYSA-K |
Product Overview
EINECS 287-731-0 (CAS 85567-18-6), with molecular formula C24H18N3Na3O14S4 and molecular weight 768.94 g/mol. IUPAC: trisodium;5-acetamido-4-hydroxy-3-[[8-(2-sulfonatooxyethylsulfonyl)naphthalen-2-yl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of EINECS 287-731-0
Property Insights of EINECS 287-731-0
The XLogP value of -6.8569 indicates that EINECS 287-731-0 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 287-731-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 287-731-0 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 287-731-0?
The CAS number of EINECS 287-731-0 is 85567-18-6.
What is the molecular formula of EINECS 287-731-0?
The molecular formula of EINECS 287-731-0 is C24H18N3Na3O14S4.
What is the molecular weight of EINECS 287-731-0?
The molecular weight of EINECS 287-731-0 is 768.94 g/mol.
Where can I buy EINECS 287-731-0?
You can request a quote for EINECS 287-731-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 287-731-0?
Yes, KEHONG BIO provides custom synthesis services for EINECS 287-731-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.