RefChem:505222
TL;DR: RefChem:505222 (CAS 67827-64-9) is a chemical compound with molecular formula C21H22ClN7Na2O9S2 and molecular weight 661.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate
Also Known As: 3-Pyridinemethanesulfonic acid, 5-((5-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)azo)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt, 3-Pyridinemethanesulfonic acid, 5-(2-(5-((4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl)amino)-2-sulfophenyl)diazenyl)-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2), 3-Pyridinemethanesulfonic acid, 5-[[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]azo]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, disodium salt, 3-Pyridinemethanesulfonic acid, 5-[2-[5-[[4-chloro-6-(1-methylethoxy)-1,3,5-triazin-2-yl]amino]-2-sulfophenyl]diazenyl]-1-ethyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-, sodium salt (1:2), DISODIUM 5-((5-((4-CHLORO-6-ISOPROPOXY-1,3,5-TRIAZIN-2-YL)AMINO)-2-SULFONATOPHENYL)AZO)-1-ETHYL-1,2-DIHYDRO-6-HYDROXY-4-METHYL-2-OXOPYRIDINE-3-METHANESULFONATE
| Molecular Formula | C21H22ClN7Na2O9S2 |
|---|---|
| Molecular Weight | 661.04 g/mol |
| LogP | -3.38 |
| Topological Polar Surface Area | 256.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 8 |
| Exact Mass | 661.0404 |
| Heavy Atoms | 42 |
| Complexity | 1240.0 |
Chemical Identifiers
| CAS Number | 67827-64-9 |
|---|---|
| SMILES | CCN1C(=C(C(=C(C1=O)N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)OC(C)C)S(=O)(=O)[O-])C)CS(=O)(=O)[O-])O.[Na+].[Na+] |
| InChIKey | JJDDOKGMVYWBOR-UHFFFAOYSA-L |
Product Overview
RefChem:505222 (CAS 67827-64-9), with molecular formula C21H22ClN7Na2O9S2 and molecular weight 661.04 g/mol. IUPAC: disodium;4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-2-[[1-ethyl-6-hydroxy-4-methyl-2-oxo-5-(sulfonatomethyl)-3-pyridinyl]diazenyl]benzenesulfonate.
Chemical Property Profile of RefChem:505222
Property Insights of RefChem:505222
The XLogP value of -3.38 indicates that RefChem:505222 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 256.0 Ų indicates high polarity, suggesting RefChem:505222 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:505222 has 2 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:505222?
The CAS number of RefChem:505222 is 67827-64-9.
What is the molecular formula of RefChem:505222?
The molecular formula of RefChem:505222 is C21H22ClN7Na2O9S2.
What is the molecular weight of RefChem:505222?
The molecular weight of RefChem:505222 is 661.04 g/mol.
Where can I buy RefChem:505222?
You can request a quote for RefChem:505222 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:505222?
Yes, KEHONG BIO provides custom synthesis services for RefChem:505222 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.