RefChem:118361
TL;DR: RefChem:118361 (CAS 68833-61-4) is a chemical compound with molecular formula C21H15N5Na2O9S and molecular weight 559.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-nitrobenzenesulfonate
Also Known As: Disodium 5-((2-methoxy-5-methyl-4-((4-nitro-2-sulphonatophenyl)azo)phenyl)azo)salicylate, 2-Hydroxy-5-((2-methoxy-5-methyl-4-((4-nitro-2-sulfophenyl)azo)phenyl)azo)benzoic acid, disodium salt, 5-((2-Methoxy-5-methyl-4-(2-sulfo-4-nitrophenyl)azo)phenylazo)-2-hydroxybenzoic acid, disocium salt, Benzoic acid, 2-hydroxy-5-((2-methoxy-5-methyl-4-((4-nitro-2-sulfophenyl)azo)phenyl)azo)-, disodium salt, Benzoic acid, 2-hydroxy-5-(2-(2-methoxy-5-methyl-4-(2-(4-nitro-2-sulfophenyl)diazenyl)phenyl)diazenyl)-, sodium salt (1:2)
| Molecular Formula | C21H15N5Na2O9S |
|---|---|
| Molecular Weight | 559.04 g/mol |
| LogP | -1.57 |
| Topological Polar Surface Area | 230.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.0386 |
| Heavy Atoms | 38 |
| Complexity | 937.0 |
Chemical Identifiers
| CAS Number | 68833-61-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N=NC2=C(C=C(C=C2)[N+](=O)[O-])S(=O)(=O)[O-])OC)N=NC3=CC(=C(C=C3)[O-])C(=O)O.[Na+].[Na+] |
| InChIKey | DJOAHDBMINEIHB-UHFFFAOYSA-L |
Product Overview
RefChem:118361 (CAS 68833-61-4), with molecular formula C21H15N5Na2O9S and molecular weight 559.04 g/mol. IUPAC: disodium;2-[[4-[(3-carboxy-4-oxidophenyl)diazenyl]-5-methoxy-2-methylphenyl]diazenyl]-5-nitrobenzenesulfonate.
Chemical Property Profile of RefChem:118361
Property Insights of RefChem:118361
The XLogP value of -1.57 indicates that RefChem:118361 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 230.0 Ų indicates high polarity, suggesting RefChem:118361 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:118361 has 1 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:118361?
The CAS number of RefChem:118361 is 68833-61-4.
What is the molecular formula of RefChem:118361?
The molecular formula of RefChem:118361 is C21H15N5Na2O9S.
What is the molecular weight of RefChem:118361?
The molecular weight of RefChem:118361 is 559.04 g/mol.
Where can I buy RefChem:118361?
You can request a quote for RefChem:118361 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:118361?
Yes, KEHONG BIO provides custom synthesis services for RefChem:118361 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.