RefChem:73091
TL;DR: RefChem:73091 (CAS 71033-20-0) is a chemical compound with molecular formula C31H26ClN8Na3O11S3 and molecular weight 886.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate
Also Known As: 1,4-Benzenedisulfonic acid, 2-((4-((4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-, trisodium salt, 1,4-Benzenedisulfonic acid, 2-(2-(4-(2-(4-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)diazenyl)-2,5-dimethylphenyl)diazenyl)-, sodium salt (1:3), 2-((4-((4-((4-Chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-5-sulfo-1-naphthalenyl)azo)-2,5-dimethylphenyl)azo)-1,4-benzenedisulfonic acid, trisodium salt, 1,4-Benzenedisulfonic acid, 2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfo-1-naphthalenyl]azo]-2,5-dimethylphenyl]azo]-, trisodium salt, 1,4-Benzenedisulfonic acid, 2-[2-[4-[2-[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfo-1-naphthalenyl]diazenyl]-2,5-dimethylphenyl]diazenyl]-, sodium salt (1:3)
| Molecular Formula | C31H26ClN8Na3O11S3 |
|---|---|
| Molecular Weight | 886.03 g/mol |
| LogP | -2.99096 |
| Topological Polar Surface Area | 315.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 11 |
| Exact Mass | 886.0265 |
| Heavy Atoms | 57 |
| Complexity | 1590.0 |
Chemical Identifiers
| CAS Number | 71033-20-0 |
|---|---|
| SMILES | CCOCCOC1=NC(=NC(=N1)NC2=C3C(=C(C=C2)N=NC4=C(C=C(C(=C4)C)N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])C)C=CC=C3S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | DOUWVCGSSDIRFI-UHFFFAOYSA-K |
Product Overview
RefChem:73091 (CAS 71033-20-0), with molecular formula C31H26ClN8Na3O11S3 and molecular weight 886.03 g/mol. IUPAC: trisodium;2-[[4-[[4-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-5-sulfonatonaphthalen-1-yl]diazenyl]-2,5-dimethylphenyl]diazenyl]benzene-1,4-disulfonate.
Chemical Property Profile of RefChem:73091
Property Insights of RefChem:73091
The XLogP value of -2.99096 indicates that RefChem:73091 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 315.0 Ų indicates high polarity, suggesting RefChem:73091 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:73091 has 1 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:73091?
The CAS number of RefChem:73091 is 71033-20-0.
What is the molecular formula of RefChem:73091?
The molecular formula of RefChem:73091 is C31H26ClN8Na3O11S3.
What is the molecular weight of RefChem:73091?
The molecular weight of RefChem:73091 is 886.03 g/mol.
Where can I buy RefChem:73091?
You can request a quote for RefChem:73091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:73091?
Yes, KEHONG BIO provides custom synthesis services for RefChem:73091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.