RefChem:434967
TL;DR: RefChem:434967 (CAS 68214-03-9) is a chemical compound with molecular formula C41H29N8Na3O13S3 and molecular weight 1006.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-1-sulfonate
Also Known As: 1-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-4-(2-(2,5-dimethoxy-4-(2-(7-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)phenyl)diazenyl)-3-hydroxy-, sodium salt (1:3), 1-Naphthalenesulfonic acid, 7-[(4-aminobenzoyl)amino]-4-[2-[2,5-dimethoxy-4-[2-[7-sulfo-4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]phenyl]diazenyl]-3-hydroxy-, sodium salt (1:3), Trisodium 7-((4-aminobenzoyl)amino)-4-((2,5-dimethoxy-4-((7-sulphonato-4-((3-sulphonatophenyl)azo)naphthyl)azo)phenyl)azo)-3-hydroxynaphthalene-1-sulphonate, 1-((4'-((4''-((3'''-Sulfophenyl)azo)-7''-sulfonaphthyl)azo)-2',5'-dimethoxyphenyl)azo)-6-((p-aminobenzoyl)amino)-2-naphthol-4-sulfonic acid, trisodium salt, 1-Naphthalenesulfonic acid, 7-((4-aminobenzoyl)amino)-4-((2,5-dimethoxy-4-((7-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)phenyl)azo)-3-hydroxy-, trisodium salt
| Molecular Formula | C41H29N8Na3O13S3 |
|---|---|
| Molecular Weight | 1006.07 g/mol |
| LogP | -0.4792 |
| Topological Polar Surface Area | 365.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 10 |
| Exact Mass | 1006.0709 |
| Heavy Atoms | 68 |
| Complexity | 2020.0 |
Chemical Identifiers
| CAS Number | 68214-03-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=CC(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N=NC5=C6C=CC(=CC6=C(C=C5O)S(=O)(=O)[O-])NC(=O)C7=CC=C(C=C7)N.[Na+].[Na+].[Na+] |
| InChIKey | YYZNZWHYMPSAOU-UHFFFAOYSA-K |
Product Overview
RefChem:434967 (CAS 68214-03-9), with molecular formula C41H29N8Na3O13S3 and molecular weight 1006.07 g/mol. IUPAC: trisodium;7-[(4-aminobenzoyl)amino]-4-[[2,5-dimethoxy-4-[[7-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]phenyl]diazenyl]-3-hydroxynaphthalene-1-sulfonate.
Chemical Property Profile of RefChem:434967
Property Insights of RefChem:434967
The XLogP value of -0.4792 indicates that RefChem:434967 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 365.0 Ų indicates high polarity, suggesting RefChem:434967 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:434967 has 3 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:434967?
The CAS number of RefChem:434967 is 68214-03-9.
What is the molecular formula of RefChem:434967?
The molecular formula of RefChem:434967 is C41H29N8Na3O13S3.
What is the molecular weight of RefChem:434967?
The molecular weight of RefChem:434967 is 1006.07 g/mol.
Where can I buy RefChem:434967?
You can request a quote for RefChem:434967 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:434967?
Yes, KEHONG BIO provides custom synthesis services for RefChem:434967 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.