RefChem:118386
TL;DR: RefChem:118386 (CAS 71873-47-7) is a chemical compound with molecular formula C37H26N6Na4O16S3 and molecular weight 998.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate
Also Known As: Benzoic acid, 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulfo-1-naphthalenyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-4-methoxy-, tetrasodium salt, Benzoic acid, 3-(2-(1-hydroxy-6-((((4-(2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)diazenyl)-4-methoxy-, sodium salt (1:4), Benzoic acid, 3-[2-[1-hydroxy-6-[[[[4-[2-(8-hydroxy-3,6-disulfo-1-naphthalenyl)diazenyl]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]diazenyl]-4-methoxy-, sodium salt (1:4), Tetrasodium 3-((1-hydroxy-6-((((4-((8-hydroxy-3,6-disulphonato-1-naphthyl)azo)-2-methoxy-5-methylphenyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)-p-anisate, Benzoic acid, 3-[[1-hydroxy-6-[[[[4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)azo]-2-methoxy-5-methylphenyl]amino]carbonyl]amino]-3-sulfo-2-naphthalenyl]azo]-4-methoxy-, tetrasodium salt
| Molecular Formula | C37H26N6Na4O16S3 |
|---|---|
| Molecular Weight | 998.02 g/mol |
| LogP | -6.70358 |
| Topological Polar Surface Area | 386.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 8 |
| Exact Mass | 998.0158 |
| Heavy Atoms | 66 |
| Complexity | 1950.0 |
Chemical Identifiers
| CAS Number | 71873-47-7 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)[O-])C=C(C=C3O)S(=O)(=O)[O-])OC)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)O)N=NC6=C(C=CC(=C6)C(=O)[O-])OC)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | AGVQRJZBHGGNJE-UHFFFAOYSA-J |
Product Overview
RefChem:118386 (CAS 71873-47-7), with molecular formula C37H26N6Na4O16S3 and molecular weight 998.02 g/mol. IUPAC: tetrasodium;3-[[1-hydroxy-6-[[4-[(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-3-sulfonatonaphthalen-2-yl]diazenyl]-4-methoxybenzoate.
Chemical Property Profile of RefChem:118386
Property Insights of RefChem:118386
The XLogP value of -6.70358 indicates that RefChem:118386 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 386.0 Ų indicates high polarity, suggesting RefChem:118386 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118386 has 4 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 RefChem:118386?
The CAS number of RefChem:118386 is 71873-47-7.
What is the molecular formula of RefChem:118386?
The molecular formula of RefChem:118386 is C37H26N6Na4O16S3.
What is the molecular weight of RefChem:118386?
The molecular weight of RefChem:118386 is 998.02 g/mol.
Where can I buy RefChem:118386?
You can request a quote for RefChem:118386 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118386?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118386 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.