RefChem:900490
TL;DR: RefChem:900490 (CAS 6598-63-6) is a chemical compound with molecular formula C34H21N6Na3O11S2 and molecular weight 822.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-sulfonatonaphthalen-2-yl]diazenyl]benzoate
Also Known As: C.I. Direct Orange 102, Trisodium 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl)amino)carbonyl)amino)-3-sulphonato-2-naphthyl)azo)benzoate, Trisodium;4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-sulfonatonaphthalen-2-yl]diazenyl]benzoate, 229-539-1, Benzoic acid, 4-((1-hydroxy-6-((((5-hydroxy-6-(phenylazo)-7-sulfo-2-naphthalenyl)amino)carbonyl)amino)-3-sulfo-2-naphthalenyl)azo)-, trisodium salt
| Molecular Formula | C34H21N6Na3O11S2 |
|---|---|
| Molecular Weight | 822.04 g/mol |
| LogP | -2.94 |
| Topological Polar Surface Area | 302.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 6 |
| Exact Mass | 822.0403 |
| Heavy Atoms | 56 |
| Complexity | 1540.0 |
Chemical Identifiers
| CAS Number | 6598-63-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=C(C=C3C=C(C=CC3=C2O)NC(=O)NC4=CC5=CC(=C(C(=C5C=C4)S(=O)(=O)[O-])N=NC6=CC=C(C=C6)C(=O)[O-])O)S(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | UJHQBTPRMLQDRG-UHFFFAOYSA-K |
Product Overview
RefChem:900490 (CAS 6598-63-6), with molecular formula C34H21N6Na3O11S2 and molecular weight 822.04 g/mol. IUPAC: trisodium;4-[[3-hydroxy-6-[(5-hydroxy-6-phenyldiazenyl-7-sulfonatonaphthalen-2-yl)carbamoylamino]-1-sulfonatonaphthalen-2-yl]diazenyl]benzoate.
Chemical Property Profile of RefChem:900490
Property Insights of RefChem:900490
The XLogP value of -2.94 indicates that RefChem:900490 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 302.0 Ų indicates high polarity, suggesting RefChem:900490 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:900490 has 4 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:900490?
The CAS number of RefChem:900490 is 6598-63-6.
What is the molecular formula of RefChem:900490?
The molecular formula of RefChem:900490 is C34H21N6Na3O11S2.
What is the molecular weight of RefChem:900490?
The molecular weight of RefChem:900490 is 822.04 g/mol.
Where can I buy RefChem:900490?
You can request a quote for RefChem:900490 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:900490?
Yes, KEHONG BIO provides custom synthesis services for RefChem:900490 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.