EINECS 268-147-5
TL;DR: EINECS 268-147-5 (CAS 68015-79-2) is a chemical compound with molecular formula C41H23CuN9Na4O16S3 and molecular weight 1147.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;2-oxido-5-[2-[4-[4-[(2Z)-2-[2-oxido-4-oxo-5-[[(7E)-8-oxo-7-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3,6-disulfonatonaphthalen-1-yl]diazenyl]cyclohexa-2,5-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinyl]benzoate
Also Known As: EINECS 268-147-5, Cuprate(4-), [5-[[4-[[4-[[2,4-dihydroxy-5-[[8-(hydroxy-.kappa.O)-7-[[2-(hydroxy-.kappa.O)phenyl]azo-.kappa.N1]-3,6-disulfo-1-naphthalenyl]azo]phenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-2-hydroxybenzoato(6-)]-, tetrasodium, Copper, (5-((4-((4-((5-((8-hydroxy-7-((2-hydroxyphenyl)azo)-3,6-disulfo-1-naphthyl)azo)-2,4-dihydroxyphenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-2-hydroxybenzoato(2-))-, tetrasodium salt, Cuprate(4-), (5-((4-((4-((2,4-dihydroxy-5-((8-(hydroxy-kappaO)-7-((2-(hydroxy-kappaO)phenyl)azo-kappaN1)-3,6-disulfo-1-naphthalenyl)azo)phenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-2-hydroxybenzoato(6-))-, tetrasodium, Cuprate(4-), (5-(2-(4-((4-(2-(2,4-dihydroxy-5-(2-(8-(hydroxy-kappaO)-7-(2-(2-(hydroxy-kappaO)phenyl)diazenyl-kappaN1)-3,6-disulfo-1-naphthalenyl)diazenyl)phenyl)diazenyl)phenyl)amino)-3-sulfophenyl)diazenyl)-2-hydroxybenzoato(6-))-, sodium (1:4)
| Molecular Formula | C41H23CuN9Na4O16S3 |
|---|---|
| Molecular Weight | 1147.93 g/mol |
| LogP | -11.0349 |
| Topological Polar Surface Area | 418.98 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 14 |
| Exact Mass | 1147.9312 |
| Heavy Atoms | 74 |
| Complexity | 3605.7693 |
Chemical Identifiers
| CAS Number | 68015-79-2 |
|---|---|
| SMILES | C1=C/C(=N\N=C/2\C(=CC3=C(C2=O)C(=CC(=C3)S(=O)(=O)[O-])N=NC4=C/C(=N/NC5=CC=C(C=C5)NC6=C(C=C(C=C6)NNC7=CC(=C(C=C7)[O-])C(=O)[O-])S(=O)(=O)[O-])/C(=CC4=O)[O-])S(=O)(=O)[O-])/C(=O)C=C1.[Na+].[Na+].[Na+].[Na+].[Cu+2] |
Product Overview
EINECS 268-147-5 (CAS 68015-79-2), with molecular formula C41H23CuN9Na4O16S3 and molecular weight 1147.93 g/mol. IUPAC: copper;tetrasodium;2-oxido-5-[2-[4-[4-[(2Z)-2-[2-oxido-4-oxo-5-[[(7E)-8-oxo-7-[(E)-(6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinylidene]-3,6-disulfonatonaphthalen-1-yl]diazenyl]cyclohexa-2,5-dien-1-ylidene]hydrazinyl]anilino]-3-sulfonatophenyl]hydrazinyl]benzoate.
Chemical Property Profile of EINECS 268-147-5
Property Insights of EINECS 268-147-5
The XLogP value of -11.0349 indicates that EINECS 268-147-5 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 418.98 Ų indicates high polarity, suggesting EINECS 268-147-5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-147-5 has 4 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-147-5?
The CAS number of EINECS 268-147-5 is 68015-79-2.
What is the molecular formula of EINECS 268-147-5?
The molecular formula of EINECS 268-147-5 is C41H23CuN9Na4O16S3.
What is the molecular weight of EINECS 268-147-5?
The molecular weight of EINECS 268-147-5 is 1147.93 g/mol.
Where can I buy EINECS 268-147-5?
You can request a quote for EINECS 268-147-5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-147-5?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-147-5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.