RefChem:118485
TL;DR: RefChem:118485 (CAS 70224-85-0) is a chemical compound with molecular formula C39H28N7Na3O11S2 and molecular weight 903.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-2-methoxy-5-methylphenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Benzoic acid, 5-((4-(((4-((4-((4,8-disulfo-2-naphthalenyl)azo)-3-methylphenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)azo)-2-hydroxy-, trisodium salt, 5-((4-(((4-((4-((1,5-Disulfo-3-naphthalenyl)azo)-3-methylphenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)azo)-2-hydroxybenzoic acid, trisodium salt, Benzoic acid, 5-(2-(4-(((4-(2-(4-(2-(4,8-disulfo-2-naphthalenyl)diazenyl)-3-methylphenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)phenyl)diazenyl)-2-hydroxy-, sodium salt (1:3), Benzoic acid, 5-[2-[4-[[[4-[2-[4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]-3-methylphenyl]diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]phenyl]diazenyl]-2-hydroxy-, sodium salt (1:3), Benzoic acid, 5-[[4-[[[4-[[4-[(4,8-disulfo-2-naphthalenyl)azo]-3-methylphenyl]azo]-2-methoxy-5-methylphenyl]amino]carbonyl]phenyl]azo]-2-hydroxy-, trisodium salt
| Molecular Formula | C39H28N7Na3O11S2 |
|---|---|
| Molecular Weight | 903.10 g/mol |
| LogP | -1.14696 |
| Topological Polar Surface Area | 304.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 903.09814 |
| Heavy Atoms | 62 |
| Complexity | 1730.0 |
Chemical Identifiers
| CAS Number | 70224-85-0 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=CC(=C(C=C2)N=NC3=CC4=C(C=CC=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])C)OC)NC(=O)C5=CC=C(C=C5)N=NC6=CC(=C(C=C6)O)C(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | JSZDBIRIGCNSNS-UHFFFAOYSA-K |
Product Overview
RefChem:118485 (CAS 70224-85-0), with molecular formula C39H28N7Na3O11S2 and molecular weight 903.10 g/mol. IUPAC: trisodium;5-[[4-[[4-[[4-[(4,8-disulfonatonaphthalen-2-yl)diazenyl]-3-methylphenyl]diazenyl]-2-methoxy-5-methylphenyl]carbamoyl]phenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:118485
Property Insights of RefChem:118485
The XLogP value of -1.14696 indicates that RefChem:118485 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 304.0 Ų indicates high polarity, suggesting RefChem:118485 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118485 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118485?
The CAS number of RefChem:118485 is 70224-85-0.
What is the molecular formula of RefChem:118485?
The molecular formula of RefChem:118485 is C39H28N7Na3O11S2.
What is the molecular weight of RefChem:118485?
The molecular weight of RefChem:118485 is 903.10 g/mol.
Where can I buy RefChem:118485?
You can request a quote for RefChem:118485 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118485?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118485 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.