RefChem:83525
TL;DR: RefChem:83525 (CAS 84045-65-8) is a chemical compound with molecular formula C31H21ClN7Na3O10S3 and molecular weight 850.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(1-sulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:3), Trisodium 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((1-sulphonato-2-naphthyl)azo)naphthalene-2,7-disulphonate, 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((1-sulfo-2-naphthalenyl)azo)-, trisodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(1-sulfo-2-naphthalenyl)diazenyl]-, sodium salt (1:3), 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfo-2-naphthalenyl)azo]-, trisodium salt
| Molecular Formula | C31H21ClN7Na3O10S3 |
|---|---|
| Molecular Weight | 850.99 g/mol |
| LogP | -3.4217 |
| Topological Polar Surface Area | 296.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 7 |
| Exact Mass | 850.9894 |
| Heavy Atoms | 55 |
| Complexity | 1550.0 |
Chemical Identifiers
| CAS Number | 84045-65-8 |
|---|---|
| SMILES | CCN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=C(C6=CC=CC=C6C=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | IZALFJAIUFACHU-UHFFFAOYSA-K |
Product Overview
RefChem:83525 (CAS 84045-65-8), with molecular formula C31H21ClN7Na3O10S3 and molecular weight 850.99 g/mol. IUPAC: trisodium;5-[[4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulfonatonaphthalen-2-yl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:83525
Property Insights of RefChem:83525
The XLogP value of -3.4217 indicates that RefChem:83525 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 296.0 Ų indicates high polarity, suggesting RefChem:83525 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:83525 has 2 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:83525?
The CAS number of RefChem:83525 is 84045-65-8.
What is the molecular formula of RefChem:83525?
The molecular formula of RefChem:83525 is C31H21ClN7Na3O10S3.
What is the molecular weight of RefChem:83525?
The molecular weight of RefChem:83525 is 850.99 g/mol.
Where can I buy RefChem:83525?
You can request a quote for RefChem:83525 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:83525?
Yes, KEHONG BIO provides custom synthesis services for RefChem:83525 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.