RefChem:566106
TL;DR: RefChem:566106 (CAS 71215-83-3) is a chemical compound with molecular formula C29H17Cl2N5Na2O7S and molecular weight 695.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Benzoic acid, 5-(2-(4'-(2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl)-2,2'-dichloro(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, sodium salt (1:2), Benzoic acid, 5-[2-[4'-[2-(2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)diazenyl]-2,2'-dichloro[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, sodium salt (1:2), Disodium 5-((4'-((2-amino-8-hydroxy-6-sulphonato-2-naphthyl)azo)-2,2'-dichloro(1,1'-biphenyl)-4-yl)azo)salicylate, 2,2'-Dichloro-4-((3-carboxy-4-hydroxyphenyl)azo)-4'-((2-amino-8-hydroxy-6-sulfonaphthyl-1)azo)-1,1'-biphenyl, disodium salt, Benzoic acid, 5-((4'-((2-amino-8-hydroxy-6-sulfo-1-naphthalenyl)azo)-2,2'-dichloro(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, disodium salt
| Molecular Formula | C29H17Cl2N5Na2O7S |
|---|---|
| Molecular Weight | 695.00 g/mol |
| LogP | 0.9134 |
| Topological Polar Surface Area | 222.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 695.00214 |
| Heavy Atoms | 46 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 71215-83-3 |
|---|---|
| SMILES | C1=CC(=C(C2=C(C=C(C=C21)S(=O)(=O)[O-])O)N=NC3=CC(=C(C=C3)C4=C(C=C(C=C4)N=NC5=CC(=C(C=C5)O)C(=O)[O-])Cl)Cl)N.[Na+].[Na+] |
| InChIKey | JDCAAORXVGDNBZ-UHFFFAOYSA-L |
Product Overview
RefChem:566106 (CAS 71215-83-3), with molecular formula C29H17Cl2N5Na2O7S and molecular weight 695.00 g/mol. IUPAC: disodium;5-[[4-[4-[(2-amino-8-hydroxy-6-sulfonatonaphthalen-1-yl)diazenyl]-2-chlorophenyl]-3-chlorophenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:566106
Property Insights of RefChem:566106
The XLogP value of 0.9134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:566106. The TPSA of 222.0 Ų indicates high polarity, suggesting RefChem:566106 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566106 has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566106?
The CAS number of RefChem:566106 is 71215-83-3.
What is the molecular formula of RefChem:566106?
The molecular formula of RefChem:566106 is C29H17Cl2N5Na2O7S.
What is the molecular weight of RefChem:566106?
The molecular weight of RefChem:566106 is 695.00 g/mol.
Where can I buy RefChem:566106?
You can request a quote for RefChem:566106 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566106?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566106 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.