RefChem:88516
TL;DR: RefChem:88516 (CAS 71720-89-3) is a chemical compound with molecular formula C36H33N3Na2O8S2 and molecular weight 745.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-(4-cyclohexylphenoxy)-2-sulfonatophenyl]diazenyl]-6-(2,6-dimethylanilino)-4-hydroxynaphthalene-2-sulfonate
Also Known As: 2-Naphthalenesulfonic acid, 5-((4-(4-cyclohexylphenoxy)-2-sulfophenyl)azo)-6-((2,6-dimethylphenyl)amino)-4-hydroxy-, disodium salt, 2-Naphthalenesulfonic acid, 5-(2-(4-(4-cyclohexylphenoxy)-2-sulfophenyl)diazenyl)-6-((2,6-dimethylphenyl)amino)-4-hydroxy-, sodium salt (1:2), 2-Naphthalenesulfonic acid, 5-[[4-(4-cyclohexylphenoxy)-2-sulfophenyl]azo]-6-[(2,6-dimethylphenyl)amino]-4-hydroxy-, disodium salt, 2-Naphthalenesulfonic acid, 5-[2-[4-(4-cyclohexylphenoxy)-2-sulfophenyl]diazenyl]-6-[(2,6-dimethylphenyl)amino]-4-hydroxy-, sodium salt (1:2), 2-Naphthalenesulfonic acid, 5-[[4-(4-cyclohexylphenoxy) -2-sulfophenyl]azo]-6-[(2,6-dimethylphenyl)amino ]-4-hydroxy-, disodium salt
| Molecular Formula | C36H33N3Na2O8S2 |
|---|---|
| Molecular Weight | 745.15 g/mol |
| LogP | 2.97744 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 745.15045 |
| Heavy Atoms | 51 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 71720-89-3 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC2=C(C3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])O)N=NC4=C(C=C(C=C4)OC5=CC=C(C=C5)C6CCCCC6)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | XQPWJIOSRBTCEC-UHFFFAOYSA-L |
Product Overview
RefChem:88516 (CAS 71720-89-3), with molecular formula C36H33N3Na2O8S2 and molecular weight 745.15 g/mol. IUPAC: disodium;5-[[4-(4-cyclohexylphenoxy)-2-sulfonatophenyl]diazenyl]-6-(2,6-dimethylanilino)-4-hydroxynaphthalene-2-sulfonate.
Chemical Property Profile of RefChem:88516
Property Insights of RefChem:88516
The XLogP value of 2.97744 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:88516. The TPSA of 197.0 Ų indicates high polarity, suggesting RefChem:88516 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:88516 has 2 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:88516?
The CAS number of RefChem:88516 is 71720-89-3.
What is the molecular formula of RefChem:88516?
The molecular formula of RefChem:88516 is C36H33N3Na2O8S2.
What is the molecular weight of RefChem:88516?
The molecular weight of RefChem:88516 is 745.15 g/mol.
Where can I buy RefChem:88516?
You can request a quote for RefChem:88516 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:88516?
Yes, KEHONG BIO provides custom synthesis services for RefChem:88516 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.