RefChem:117811
TL;DR: RefChem:117811 (CAS 72214-19-8) is a chemical compound with molecular formula C23H19Cl3N8Na2O9S2 and molecular weight 765.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 2,5-dichloro-4-(4-((3-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-6-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2), Benzenesulfonic acid, 2,5-dichloro-4-[4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-6-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt, Benzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2), 2,5-Dichloro-4-[[4-[[3-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-6-(sodiosulfo)phenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acid sodium salt
| Molecular Formula | C23H19Cl3N8Na2O9S2 |
|---|---|
| Molecular Weight | 765.96 g/mol |
| LogP | -2.3181 |
| Topological Polar Surface Area | 258.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 765.95776 |
| Heavy Atoms | 47 |
| Complexity | 1290.0 |
Chemical Identifiers
| CAS Number | 72214-19-8 |
|---|---|
| SMILES | CCOCCOC1=NC(=NC(=N1)NC2=CC(=C(C=C2)S(=O)(=O)[O-])N=NC3C(=NN(C3=O)C4=CC(=C(C=C4Cl)S(=O)(=O)[O-])Cl)C)Cl.[Na+].[Na+] |
| InChIKey | JIWBAHACOXXAQD-UHFFFAOYSA-L |
Product Overview
RefChem:117811 (CAS 72214-19-8), with molecular formula C23H19Cl3N8Na2O9S2 and molecular weight 765.96 g/mol. IUPAC: disodium;2,5-dichloro-4-[4-[[5-[[4-chloro-6-(2-ethoxyethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:117811
Property Insights of RefChem:117811
The XLogP value of -2.3181 indicates that RefChem:117811 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 258.0 Ų indicates high polarity, suggesting RefChem:117811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:117811 has 1 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:117811?
The CAS number of RefChem:117811 is 72214-19-8.
What is the molecular formula of RefChem:117811?
The molecular formula of RefChem:117811 is C23H19Cl3N8Na2O9S2.
What is the molecular weight of RefChem:117811?
The molecular weight of RefChem:117811 is 765.96 g/mol.
Where can I buy RefChem:117811?
You can request a quote for RefChem:117811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:117811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:117811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.