RefChem:118493
TL;DR: RefChem:118493 (CAS 70209-88-0) is a chemical compound with molecular formula C39H25N7Na4O15S2 and molecular weight 987.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[[6-[[2-[(2-carboxylatophenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonatonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate
Also Known As: 5-((4-((6-((2-((2-Carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxybenzoic acid, tetrasodium salt, Benzoic acid, 5-((4-((6-((2-((2-carboxyphenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)azo)-3-methoxy-7-sulfo-1-naphthalenyl)azo)-2-hydroxy-, tetrasodium salt, Benzoic acid, 5-(2-(4-(2-(6-((2-(2-(2-carboxyphenyl)diazenyl)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulfo-1-naphthalenyl)diazenyl)-3-methoxy-7-sulfo-1-naphthalenyl)diazenyl)-2-hydroxy-, sodium salt (1:4), Benzoic acid, 5-[2-[4-[2-[6-[[2-[2-(2-carboxyphenyl)diazenyl]-1,3-dioxobutyl]amino]-2-hydroxy-4-sulfo-1-naphthalenyl]diazenyl]-3-methoxy-7-sulfo-1-naphthalenyl]diazenyl]-2-hydroxy-, sodium salt (1:4), Tetrasodium 5-((4-((6-((2-((2-carboxylatophenyl)azo)-1,3-dioxobutyl)amino)-2-hydroxy-4-sulphonato-1-naphthyl)azo)-3-methoxy-7-sulphonato-1-naphthyl)azo)salicylate
| Molecular Formula | C39H25N7Na4O15S2 |
|---|---|
| Molecular Weight | 987.04 g/mol |
| LogP | -7.5252 |
| Topological Polar Surface Area | 381.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 10 |
| Exact Mass | 987.04407 |
| Heavy Atoms | 67 |
| Complexity | 1960.0 |
Chemical Identifiers
| CAS Number | 70209-88-0 |
|---|---|
| SMILES | CC(=O)C(C(=O)NC1=CC2=C(C=C(C(=C2C=C1)N=NC3=C(C=C(C4=C3C=CC(=C4)S(=O)(=O)[O-])N=NC5=CC(=C(C=C5)O)C(=O)[O-])OC)O)S(=O)(=O)[O-])N=NC6=CC=CC=C6C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | UAUWAILLMHXISG-UHFFFAOYSA-J |
Product Overview
RefChem:118493 (CAS 70209-88-0), with molecular formula C39H25N7Na4O15S2 and molecular weight 987.04 g/mol. IUPAC: tetrasodium;5-[[4-[[6-[[2-[(2-carboxylatophenyl)diazenyl]-3-oxobutanoyl]amino]-2-hydroxy-4-sulfonatonaphthalen-1-yl]diazenyl]-3-methoxy-7-sulfonatonaphthalen-1-yl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:118493
Property Insights of RefChem:118493
The XLogP value of -7.5252 indicates that RefChem:118493 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 381.0 Ų indicates high polarity, suggesting RefChem:118493 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118493 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118493?
The CAS number of RefChem:118493 is 70209-88-0.
What is the molecular formula of RefChem:118493?
The molecular formula of RefChem:118493 is C39H25N7Na4O15S2.
What is the molecular weight of RefChem:118493?
The molecular weight of RefChem:118493 is 987.04 g/mol.
Where can I buy RefChem:118493?
You can request a quote for RefChem:118493 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118493?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118493 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.