RefChem:108891
TL;DR: RefChem:108891 (CAS 68631-10-7) is a chemical compound with molecular formula C36H21N7Na4O14S2 and molecular weight 931.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;2-[3-[[6-[[6-[[3-[(carboxylatoformyl)amino]phenyl]diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]anilino]-2-oxoacetate
Also Known As: 2-Naphthalenesulfonic acid, 7,7'-iminobis(4-hydroxy-3-(3-(oxalyamino)phenylazo))-, tetrasodium salt, Acetic acid, 2,2'-(iminobis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl-3,1-phenyleneimino))bis(2-oxo-, sodium salt (1:4), Acetic acid, 2,2'-(iminobis((1-hydroxy-3-sulfo-6,2-naphthalenediyl)azo-3,1-phenyleneimino))bis(2-oxo-, tetrasodium salt, Acetic acid, 2,2'-[iminobis[(1-hydroxy-3-sulfo-6,2-naphthalenediyl)-2,1-diazenediyl-3,1-phenyleneimino]]bis[2-oxo-, sodium salt (1:4), Tetrasodium 2,2'-(iminobis((1-hydroxy-3-sulphonato-6,2-naphthalenediyl)azo-3,1-phenyleneimino))bis(2-oxoacetate)
| Molecular Formula | C36H21N7Na4O14S2 |
|---|---|
| Molecular Weight | 931.02 g/mol |
| LogP | -8.8204 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 8 |
| Exact Mass | 931.0179 |
| Heavy Atoms | 63 |
| Complexity | 1670.0 |
Chemical Identifiers
| CAS Number | 68631-10-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=CC=CC(=C6)NC(=O)C(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | ZJAFXFFWUDYGQI-UHFFFAOYSA-J |
Product Overview
RefChem:108891 (CAS 68631-10-7), with molecular formula C36H21N7Na4O14S2 and molecular weight 931.02 g/mol. IUPAC: tetrasodium;2-[3-[[6-[[6-[[3-[(carboxylatoformyl)amino]phenyl]diazenyl]-5-hydroxy-7-sulfonatonaphthalen-2-yl]amino]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]anilino]-2-oxoacetate.
Chemical Property Profile of RefChem:108891
Property Insights of RefChem:108891
The XLogP value of -8.8204 indicates that RefChem:108891 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting RefChem:108891 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:108891 has 5 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 RefChem:108891?
The CAS number of RefChem:108891 is 68631-10-7.
What is the molecular formula of RefChem:108891?
The molecular formula of RefChem:108891 is C36H21N7Na4O14S2.
What is the molecular weight of RefChem:108891?
The molecular weight of RefChem:108891 is 931.02 g/mol.
Where can I buy RefChem:108891?
You can request a quote for RefChem:108891 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:108891?
Yes, KEHONG BIO provides custom synthesis services for RefChem:108891 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.