RefChem:446328
TL;DR: RefChem:446328 (CAS 68991-99-1) is a chemical compound with molecular formula C34H19Cl2N12Na5O16S5 and molecular weight 1195.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentasodium;5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
Also Known As: 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:5), 2,7-Naphthalenedisulfonic acid, 5-((4-chloro-6-((4-((4-chloro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-4-hydroxy-3-((2-sulfophenyl)azo)-, pentasodium salt, 2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:5), 2,7-Naphthalenedisulfonicacid,5-[[4-chloro-6-[[4-[[4-chloro-6-[ amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[ azo]-,pentasodiumsalt, 5-[[4-Chloro-6-[[4-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[2-(2-sulfophenyl)diazenyl]-2,7-naphthalenedisulfonic acid sodium (1:5)
| Molecular Formula | C34H19Cl2N12Na5O16S5 |
|---|---|
| Molecular Weight | 1195.85 g/mol |
| LogP | -10.8475 |
| Topological Polar Surface Area | 498.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 28 |
| Rotatable Bonds | 10 |
| Exact Mass | 1195.8511 |
| Heavy Atoms | 74 |
| Complexity | 2310.0 |
Chemical Identifiers
| CAS Number | 68991-99-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)N=NC2=C(C3=C(C=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])NC4=NC(=NC(=N4)NC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=CC=C7)S(=O)(=O)[O-])Cl)S(=O)(=O)[O-])Cl)O)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+] |
| InChIKey | YRHAQMOYSPBQTN-UHFFFAOYSA-I |
Product Overview
RefChem:446328 (CAS 68991-99-1), with molecular formula C34H19Cl2N12Na5O16S5 and molecular weight 1195.85 g/mol. IUPAC: pentasodium;5-[[4-chloro-6-[4-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:446328
Property Insights of RefChem:446328
The XLogP value of -10.8475 indicates that RefChem:446328 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 498.0 Ų indicates high polarity, suggesting RefChem:446328 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:446328 has 5 hydrogen bond donor(s) and 28 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:446328?
The CAS number of RefChem:446328 is 68991-99-1.
What is the molecular formula of RefChem:446328?
The molecular formula of RefChem:446328 is C34H19Cl2N12Na5O16S5.
What is the molecular weight of RefChem:446328?
The molecular weight of RefChem:446328 is 1195.85 g/mol.
Where can I buy RefChem:446328?
You can request a quote for RefChem:446328 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:446328?
Yes, KEHONG BIO provides custom synthesis services for RefChem:446328 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.