RefChem:566080
TL;DR: RefChem:566080 (CAS 68631-12-9) is a chemical compound with molecular formula C47H32N10Na4O13S3 and molecular weight 1132.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;5-[[4-[4-[[2,6-diamino-4-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Benzoic acid, 5-((4'-((2,6-diamino-4-((8-hydroxy-3,6-disulfo-7-((4-sulfo-1-naphthalenyl)azo)-2-naphthalenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, tetrasodium salt, Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-4-(2-(8-hydroxy-3,6-disulfo-7-(2-(4-sulfo-1-naphthalenyl)diazenyl)-2-naphthalenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:4), Tetrasodium 5-((4'-((2,6-diamino-4-((8-hydroxy-3,6-disulphonato-7-((4-sulphonato-1-naphthyl)azo)-2-naphthyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)salicylate, Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-4-[2-[8-hydroxy-3,6-disulfo-7-[2-(4-sulfo-1-naphthalenyl)diazenyl]-2-naphthalenyl]diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:4), Tetrasodium 5-[(4'-{[2,6-diamino-4-({8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl}diazenyl)phenyl]diazenyl}-3,3'-dimethyl[biphenyl]-4-yl)diazenyl]-2-hydroxybenzoate
| Molecular Formula | C47H32N10Na4O13S3 |
|---|---|
| Molecular Weight | 1132.09 g/mol |
| LogP | -2.39416 |
| Topological Polar Surface Area | 428.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 1132.0903 |
| Heavy Atoms | 77 |
| Complexity | 2330.0 |
Chemical Identifiers
| CAS Number | 68631-12-9 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C(C=C3N)N=NC4=C(C=C5C=C(C(=C(C5=C4)O)N=NC6=CC=C(C7=CC=CC=C76)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N)C)N=NC8=CC(=C(C=C8)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | IEDXVLKEGIMVAQ-UHFFFAOYSA-J |
Product Overview
RefChem:566080 (CAS 68631-12-9), with molecular formula C47H32N10Na4O13S3 and molecular weight 1132.09 g/mol. IUPAC: tetrasodium;5-[[4-[4-[[2,6-diamino-4-[[8-hydroxy-3,6-disulfonato-7-[(4-sulfonatonaphthalen-1-yl)diazenyl]naphthalen-2-yl]diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:566080
Property Insights of RefChem:566080
The XLogP value of -2.39416 indicates that RefChem:566080 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 428.0 Ų indicates high polarity, suggesting RefChem:566080 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566080 has 4 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566080?
The CAS number of RefChem:566080 is 68631-12-9.
What is the molecular formula of RefChem:566080?
The molecular formula of RefChem:566080 is C47H32N10Na4O13S3.
What is the molecular weight of RefChem:566080?
The molecular weight of RefChem:566080 is 1132.09 g/mol.
Where can I buy RefChem:566080?
You can request a quote for RefChem:566080 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566080?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566080 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.