AQUASHADE
TL;DR: AQUASHADE (CAS 92170-50-8) is a chemical compound with molecular formula C53H51N8Na3O18S5 and molecular weight 1316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;azane;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate
Also Known As: AQUASHADE, EPA Pesticide Chemical Code 110303, Trisodium;azane;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate, Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methylamino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, hydroxide, inner salt, diammonium salt, mixt. 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazole-3-carboxylic acid trisodium salt, Benzenemethanaminium, N-ethyl-N-(4-((4-(ethyl((3-sulfophenyl)methyl)amino)phenyl)(2-sulfophenyl)methylene)-2,5-cyclohexadien-1-ylidene)-3-sulfo-, inner salt, diammonium salt, mixt. with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-((4-sulfophenyl)azo)-1H-pyrazol
| Molecular Formula | C53H51N8Na3O18S5 |
|---|---|
| Molecular Weight | 1316.16 g/mol |
| LogP | -3.85 |
| Topological Polar Surface Area | 428.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 14 |
| Exact Mass | 1316.1617 |
| Heavy Atoms | 87 |
| Complexity | 2580.0 |
Chemical Identifiers
| CAS Number | 92170-50-8 |
|---|---|
| SMILES | CCN(CC1=CC(=CC=C1)S(=O)(=O)[O-])C2=CC=C(C=C2)C(=C3C=CC(=[N+](CC)CC4=CC(=CC=C4)S(=O)(=O)O)C=C3)C5=CC=CC=C5S(=O)(=O)O.C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-].N.N.[Na+].[Na+].[Na+] |
| InChIKey | CNXKZKXMIIEMNW-UHFFFAOYSA-K |
Product Overview
AQUASHADE (CAS 92170-50-8), with molecular formula C53H51N8Na3O18S5 and molecular weight 1316.16 g/mol. IUPAC: trisodium;azane;3-[[N-ethyl-4-[[4-[ethyl-[(3-sulfophenyl)methyl]azaniumylidene]cyclohexa-2,5-dien-1-ylidene]-(2-sulfophenyl)methyl]anilino]methyl]benzenesulfonate;5-oxo-1-(4-sulfonatophenyl)-4-[(4-sulfonatophenyl)diazenyl]-4H-pyrazole-3-carboxylate.
Chemical Property Profile of AQUASHADE
Property Insights of AQUASHADE
The XLogP value of -3.85 indicates that AQUASHADE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 428.0 Ų indicates high polarity, suggesting AQUASHADE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AQUASHADE has 4 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQUASHADE?
The CAS number of AQUASHADE is 92170-50-8.
What is the molecular formula of AQUASHADE?
The molecular formula of AQUASHADE is C53H51N8Na3O18S5.
What is the molecular weight of AQUASHADE?
The molecular weight of AQUASHADE is 1316.16 g/mol.
Where can I buy AQUASHADE?
You can request a quote for AQUASHADE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQUASHADE?
Yes, KEHONG BIO provides custom synthesis services for AQUASHADE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.