RefChem:579785
TL;DR: RefChem:579785 (CAS 68140-37-4) is a chemical compound with molecular formula C38H20Cu2N5Na3O13S3 and molecular weight 1044.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;trisodium;4-[[5-[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate
Also Known As: Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, sodium (1:3), Cuprate(3-), (mu-(4-((3,3'-di(hydroxy-kappaO)-4'-((1-(hydroxy-kappaO)-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo-kappaN1)(1,1'-biphenyl)-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, trisodium, Cuprate(3-), [.mu.-[4-[[3,3'-di(hydroxy-.kappa.O)-4'-[[1-(hydroxy-.kappa.O)-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo-.kappa.N1][1,1'-biphenyl]-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-2,7-naphthalenedisulfonato(7-)]]di-, trisodium, Cuprate(3-), (mu-(4-((3,3'-dihydroxy-4'-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trisodium, copper(2+) sodium 4-[(e)-(3',4-dioxido-4'-{(e)-[1-oxido-6-(phenylamino)-3-sulfonatonaphthalen-2-yl]diazenyl}biphenyl-3-yl)diazenyl]-3-oxidonaphthalene-2,7-disulfonate(2:3:1)
| Molecular Formula | C38H20Cu2N5Na3O13S3 |
|---|---|
| Molecular Weight | 1044.85 g/mol |
| LogP | -3.75 |
| Topological Polar Surface Area | 350.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 7 |
| Exact Mass | 1044.8505 |
| Heavy Atoms | 64 |
| Complexity | 1790.0 |
Chemical Identifiers
| CAS Number | 68140-37-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=CC3=CC(=C(C(=C3C=C2)[O-])N=NC4=C(C=C(C=C4)C5=CC(=C(C=C5)[O-])N=NC6=C7C=CC(=CC7=CC(=C6[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Cu+2].[Cu+2] |
| InChIKey | PGLVXPZSWHWUIY-UHFFFAOYSA-G |
Product Overview
RefChem:579785 (CAS 68140-37-4), with molecular formula C38H20Cu2N5Na3O13S3 and molecular weight 1044.85 g/mol. IUPAC: dicopper;trisodium;4-[[5-[4-[(6-anilino-1-oxido-3-sulfonatonaphthalen-2-yl)diazenyl]-3-oxidophenyl]-2-oxidophenyl]diazenyl]-3-oxidonaphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579785
Property Insights of RefChem:579785
The XLogP value of -3.75 indicates that RefChem:579785 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 350.0 Ų indicates high polarity, suggesting RefChem:579785 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579785 has 1 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579785?
The CAS number of RefChem:579785 is 68140-37-4.
What is the molecular formula of RefChem:579785?
The molecular formula of RefChem:579785 is C38H20Cu2N5Na3O13S3.
What is the molecular weight of RefChem:579785?
The molecular weight of RefChem:579785 is 1044.85 g/mol.
Where can I buy RefChem:579785?
You can request a quote for RefChem:579785 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579785?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579785 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.