RefChem:579814
TL;DR: RefChem:579814 (CAS 70236-54-3) is a chemical compound with molecular formula C20H8Cl3CuN6Na3O11S3 and molecular weight 840.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;trisodium;4-amino-5-oxido-6-[[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate
Also Known As: Cuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-((2-(hydroxy-kappaO)-3-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo-kappaN1)-1,3-naphthalenedisulfonato(5-))-, trisodium, Cuprate(3-), (4-amino-5-(hydroxy-kappaO)-6-(2-(2-(hydroxy-kappaO)-3-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl-kappaN1)-1,3-naphthalenedisulfonato(5-))-, sodium (1:3), (4-Amino-5-hydroxy-6-((2-hydroxy-3-sulfo-5-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)-1,3-naphthalenedisulfonato(5-))cuprate(3-), trisodium, copper trisodium 4-amino-5-oxido-6-[[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate, COPPER TRISODIUM 4-AMINO-5-OXIDO-6-[2-OXIDO-3-SULFONATO-5-[(2,5,6-TRICHLOROPYRIMIDIN-4-YL)AMINO]PHENYL]DIAZENYL-NAPHTHALENE-1,3-DISULFONATE
| Molecular Formula | C20H8Cl3CuN6Na3O11S3 |
|---|---|
| Molecular Weight | 840.75 g/mol |
| LogP | -6.7998 |
| Topological Polar Surface Area | 331.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 4 |
| Exact Mass | 840.74677 |
| Heavy Atoms | 47 |
| Complexity | 1320.0 |
Chemical Identifiers
| CAS Number | 70236-54-3 |
|---|---|
| SMILES | C1=CC(=C(C2=C1C(=CC(=C2N)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])N=NC3=C(C(=CC(=C3)NC4=C(C(=NC(=N4)Cl)Cl)Cl)S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | DIRAICVAJNONFF-UHFFFAOYSA-I |
Product Overview
RefChem:579814 (CAS 70236-54-3), with molecular formula C20H8Cl3CuN6Na3O11S3 and molecular weight 840.75 g/mol. IUPAC: copper;trisodium;4-amino-5-oxido-6-[[2-oxido-3-sulfonato-5-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]naphthalene-1,3-disulfonate.
Chemical Property Profile of RefChem:579814
Property Insights of RefChem:579814
The XLogP value of -6.7998 indicates that RefChem:579814 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 331.0 Ų indicates high polarity, suggesting RefChem:579814 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579814 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:579814?
The CAS number of RefChem:579814 is 70236-54-3.
What is the molecular formula of RefChem:579814?
The molecular formula of RefChem:579814 is C20H8Cl3CuN6Na3O11S3.
What is the molecular weight of RefChem:579814?
The molecular weight of RefChem:579814 is 840.75 g/mol.
Where can I buy RefChem:579814?
You can request a quote for RefChem:579814 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579814?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579814 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.