Einecs 273-655-5
TL;DR: Einecs 273-655-5 (CAS 68991-91-3) is a chemical compound with molecular formula C39H35N7Na4O15S4 and molecular weight 1061.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate;2-(2-hydroxyethylamino)ethanol
Also Known As: 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(2-methyl-4,1-phenylene)azo))bis-, sodium salt, compd. with 2,2'-iminobis(ethanol), 1,3-Naphthalenedisulfonic acid, 7,7'-(carbonylbis(imino(2-methyl-4,1-phenylene)-2,1-diazenediyl))bis-, sodium salt, compd. with 2,2'-iminobis(ethanol) (1:?:?), 1,3-Naphthalenedisulfonic acid, 7,7'-[carbonylbis[imino(2-methyl-4,1-phenylene)azo]]bis-, sodium salt, compd. with 2,2'-iminobis[ethanol], 7,7'-(Carbonylbis(imino(2-methyl-p-phenylene)azo))bis(naphthalene-1,3-disulphonic) acid, sodium salt, compound with 2,2'-iminodiethanol, 7,7'-[carbonylbis[imino(2-methyl-p-phenylene)azo]]bis(naphthalene-1,3-disulphonic) acid, sodium salt, compound with 2,2'-iminodiethanol
| Molecular Formula | C39H35N7Na4O15S4 |
|---|---|
| Molecular Weight | 1061.07 g/mol |
| LogP | -6.72236 |
| Topological Polar Surface Area | 405.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 1061.0665 |
| Heavy Atoms | 69 |
| Complexity | 1820.0 |
Chemical Identifiers
| CAS Number | 68991-91-3 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N=NC3=CC4=C(C=C(C=C4C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C)N=NC5=CC6=C(C=C(C=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-].C(CO)NCCO.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | GKGJFRUPDXWSJF-UHFFFAOYSA-J |
Product Overview
Einecs 273-655-5 (CAS 68991-91-3), with molecular formula C39H35N7Na4O15S4 and molecular weight 1061.07 g/mol. IUPAC: tetrasodium;7-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]carbamoylamino]-2-methylphenyl]diazenyl]naphthalene-1,3-disulfonate;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of Einecs 273-655-5
Property Insights of Einecs 273-655-5
The XLogP value of -6.72236 indicates that Einecs 273-655-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 405.0 Ų indicates high polarity, suggesting Einecs 273-655-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 273-655-5 has 5 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 273-655-5?
The CAS number of Einecs 273-655-5 is 68991-91-3.
What is the molecular formula of Einecs 273-655-5?
The molecular formula of Einecs 273-655-5 is C39H35N7Na4O15S4.
What is the molecular weight of Einecs 273-655-5?
The molecular weight of Einecs 273-655-5 is 1061.07 g/mol.
Where can I buy Einecs 273-655-5?
You can request a quote for Einecs 273-655-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 273-655-5?
Yes, KEHONG BIO provides custom synthesis services for Einecs 273-655-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.