RefChem:579845
TL;DR: RefChem:579845 (CAS 68912-12-9) is a chemical compound with molecular formula C29H16CuFN9Na4O12S3 and molecular weight 951.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;2-[[[[3-[[4-fluoro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-oxido-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-4-sulfonatobenzoate
Also Known As: Cuprate(4-), (2-((((3-((4-fluoro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfophenyl)azo)phenylmethyl)azo)-4-sulfobenzoato(6-))-, tetrasodium, Cuprate(4-), (2-(2-((2-(3-((4-fluoro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)diazenyl-kappaN2)phenylmethyl)diazenyl-kappaN1)-4-sulfobenzoato(6-)-kappaO)-, sodium (1:4), Benzoic acid, 2-(5-((3-((4-fluoro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-hydroxy-5-sulfo)phenyl)-3-phenyl-1,5-formazandiyl)-4-sulfo-, copper (II) complex, tetrasodium salt, Cuprate(4-), (2-((((3-((4-fluoro-6-((3-sulfophenyl)amino)-1,3,5-triazin-2-yl)amino)-2-(hydroxy-kappaO)-5-sulfophenyl)azo-kappaN2)phenylmethyl)azo-kappaN1)-4-sulfobenzoato(6-)-kappaO)-, tetrasodium, Cuprate(4-), [2-[[[[3-[[4-fluoro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-hydroxy-5-sulfophenyl]azo]phenylmethyl]azo]-4-sulfobenzoato(6-)]-, tetrasodium
| Molecular Formula | C29H16CuFN9Na4O12S3 |
|---|---|
| Molecular Weight | 951.90 g/mol |
| LogP | -9.93381 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 951.89514 |
| Heavy Atoms | 59 |
| Complexity | 1630.0 |
Chemical Identifiers
| CAS Number | 68912-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)[C-](N=NC2=CC(=CC(=C2[O-])NC3=NC(=NC(=N3)NC4=CC(=CC=C4)S(=O)(=O)[O-])F)S(=O)(=O)[O-])N=NC5=C(C=CC(=C5)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | VXRRCELXDCJWRE-UHFFFAOYSA-I |
Product Overview
RefChem:579845 (CAS 68912-12-9), with molecular formula C29H16CuFN9Na4O12S3 and molecular weight 951.90 g/mol. IUPAC: copper;tetrasodium;2-[[[[3-[[4-fluoro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-2-oxido-5-sulfonatophenyl]diazenyl]-phenylmethyl]diazenyl]-4-sulfonatobenzoate.
Chemical Property Profile of RefChem:579845
Property Insights of RefChem:579845
The XLogP value of -9.93381 indicates that RefChem:579845 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting RefChem:579845 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579845 has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579845?
The CAS number of RefChem:579845 is 68912-12-9.
What is the molecular formula of RefChem:579845?
The molecular formula of RefChem:579845 is C29H16CuFN9Na4O12S3.
What is the molecular weight of RefChem:579845?
The molecular weight of RefChem:579845 is 951.90 g/mol.
Where can I buy RefChem:579845?
You can request a quote for RefChem:579845 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579845?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579845 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.