RefChem:579786
TL;DR: RefChem:579786 (CAS 72906-64-0) is a chemical compound with molecular formula C44H51Cu2N7O19S3 and molecular weight 1203.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dicopper;hydron;tris(2-(2-hydroxyethylamino)ethanol);3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate
Also Known As: Cuprate(3-), (mu-(4-(2-(3,3'-di(hydroxy-kappaO)-4'-(2-(2-(hydroxy-kappaO)-6-sulfo-1-naphthalenyl)diazenyl-kappaN1)(1,1'-biphenyl)-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-2,7-naphthalenedisulfonato(7-)))di-, hydrogen, compd. with 2,2'-iminobis(ethanol) (1:3:3), Cuprate(3-), (mu-(4-((3,3'-dihydroxy-4'-((2-hydroxy-6-sulfo-1-naphthalenyl)azo)(1,1'-biphenyl)-4-yl)azo)-3-hydroxy-2,7-naphthalenedisulfonato(7-)))di-, trihydrogen, compd. with 2,2'-iminobis(ethanol) (1:3), Cuprate(3-), [.mu.-[4-[[3,3'-dihydroxy-4'-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, trihydrogen, compd. with 2,2'-iminobis[ethanol] (1:3), Copper(2+) hydrogen 4-[(E)-{3,3'-dioxido-4'-[(E)-(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl][1,1'-biphenyl]-4-yl}diazenyl]-3-oxidonaphthalene-2,7-disulfonate--2,2'-azanediyldi(ethan-1-ol) (2/3/1/3), Cuprate(3-), [.mu.-[4-[[3,3'-dihydroxy-4'-[(2-hydroxy-6-sulfo-1-naphthalenyl)azo][1,1'-biphenyl]-4-yl]azo]-3-hydroxy-2,7-naphthalenedisulfonato(7-)]]di-, trihydrogen, compound with 2,2'-iminobis[ethanol] (1:3)
| Molecular Formula | C44H51Cu2N7O19S3 |
|---|---|
| Molecular Weight | 1203.10 g/mol |
| LogP | -0.4882 |
| Topological Polar Surface Area | 496.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 26 |
| Rotatable Bonds | 17 |
| Exact Mass | 1203.0994 |
| Heavy Atoms | 75 |
| Complexity | 1640.0 |
Chemical Identifiers
| CAS Number | 72906-64-0 |
|---|---|
| SMILES | [H+].[H+].[H+].C1=CC(=C(C=C1C2=CC(=C(C=C2)N=NC3=C4C=CC(=CC4=CC(=C3[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])N=NC5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)[O-])[O-].C(CO)NCCO.C(CO)NCCO.C(CO)NCCO.[Cu+2].[Cu+2] |
| InChIKey | YJQWEHCEGAOYCV-UHFFFAOYSA-J |
Product Overview
RefChem:579786 (CAS 72906-64-0), with molecular formula C44H51Cu2N7O19S3 and molecular weight 1203.10 g/mol. IUPAC: dicopper;hydron;tris(2-(2-hydroxyethylamino)ethanol);3-oxido-4-[[2-oxido-4-[3-oxido-4-[(2-oxido-6-sulfonatonaphthalen-1-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonate.
Chemical Property Profile of RefChem:579786
Property Insights of RefChem:579786
The XLogP value of -0.4882 indicates that RefChem:579786 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 496.0 Ų indicates high polarity, suggesting RefChem:579786 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:579786 has 12 hydrogen bond donor(s) and 26 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:579786?
The CAS number of RefChem:579786 is 72906-64-0.
What is the molecular formula of RefChem:579786?
The molecular formula of RefChem:579786 is C44H51Cu2N7O19S3.
What is the molecular weight of RefChem:579786?
The molecular weight of RefChem:579786 is 1203.10 g/mol.
Where can I buy RefChem:579786?
You can request a quote for RefChem:579786 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:579786?
Yes, KEHONG BIO provides custom synthesis services for RefChem:579786 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.