RefChem:566076
TL;DR: RefChem:566076 (CAS 70632-09-6) is a chemical compound with molecular formula C33H26Li2N8O6S and molecular weight 676.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dilithium;5-[[4-[4-[[2,6-diamino-3-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate
Also Known As: Benzoic acid, 5-[[4'-[[2,6-diamino-3-[(4-sulfophenyl)azo]phenyl]azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-2-hydroxy-, dilithium salt, 4-((2,6-Diamino-3-((p-sulfophenyl)azo)phenyl)azo)-4'-(5-salicylazo)-3,3'-dimethyl-1,1'-biphenyl, dilithium salt, Benzoic acid, 5-((4'-((2,6-diamino-3-((4-sulfophenyl)azo)phenyl)azo)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)azo)-2-hydroxy-, dilithium salt, Benzoic acid, 5-(2-(4'-(2-(2,6-diamino-3-(2-(4-sulfophenyl)diazenyl)phenyl)diazenyl)-3,3'-dimethyl(1,1'-biphenyl)-4-yl)diazenyl)-2-hydroxy-, lithium salt (1:2), Benzoic acid, 5-[2-[4'-[2-[2,6-diamino-3-[2-(4-sulfophenyl)diazenyl]phenyl]diazenyl]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]diazenyl]-2-hydroxy-, lithium salt (1:2)
| Molecular Formula | C33H26Li2N8O6S |
|---|---|
| Molecular Weight | 676.20 g/mol |
| LogP | 1.36 |
| Topological Polar Surface Area | 252.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 676.2016 |
| Heavy Atoms | 50 |
| Complexity | 1250.0 |
Chemical Identifiers
| CAS Number | 70632-09-6 |
|---|---|
| SMILES | [Li+].[Li+].CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=CC(=C3N)N=NC4=CC=C(C=C4)S(=O)(=O)[O-])N)C)N=NC5=CC(=C(C=C5)O)C(=O)[O-] |
| InChIKey | PCIVUQFBACAUBZ-UHFFFAOYSA-L |
Product Overview
RefChem:566076 (CAS 70632-09-6), with molecular formula C33H26Li2N8O6S and molecular weight 676.20 g/mol. IUPAC: dilithium;5-[[4-[4-[[2,6-diamino-3-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-3-methylphenyl]-2-methylphenyl]diazenyl]-2-hydroxybenzoate.
Chemical Property Profile of RefChem:566076
Property Insights of RefChem:566076
The XLogP value of 1.36 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:566076. The TPSA of 252.0 Ų indicates high polarity, suggesting RefChem:566076 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:566076 has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:566076?
The CAS number of RefChem:566076 is 70632-09-6.
What is the molecular formula of RefChem:566076?
The molecular formula of RefChem:566076 is C33H26Li2N8O6S.
What is the molecular weight of RefChem:566076?
The molecular weight of RefChem:566076 is 676.20 g/mol.
Where can I buy RefChem:566076?
You can request a quote for RefChem:566076 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:566076?
Yes, KEHONG BIO provides custom synthesis services for RefChem:566076 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.