EINECS 275-961-4
TL;DR: EINECS 275-961-4 (CAS 71735-63-2) is a chemical compound with molecular formula C30H14Cl3CuN9Na4O12S3 and molecular weight 1047.79 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper;tetrasodium;2-[[[(2-oxido-3,5-disulfonatophenyl)diazenyl]-[3-[[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]methyl]diazenyl]-5-sulfonatobenzoate
Also Known As: Tetrasodium (2-((((2-hydroxy-3,5-disulphophenyl)azo)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo)-5-sulphobenzoato(6-))cuprate(4-), Cuprate(4-), (2-((((2-(hydroxy-kappaO)-3,5-disulfophenyl)azo-kappaN2)(3-((4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)azo)phenyl)methyl)azo-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, tetrasodium, Cuprate(4-), (2-(2-((2-(2-(hydroxy-kappaO)-3,5-disulfophenyl)diazenyl-kappaN2)(3-(2-(4-((2,5,6-trichloro-4-pyrimidinyl)amino)phenyl)diazenyl)phenyl)methyl)diazenyl-kappaN1)-5-sulfobenzoato(6-)-kappaO)-, sodium (1:4)
| Molecular Formula | C30H14Cl3CuN9Na4O12S3 |
|---|---|
| Molecular Weight | 1047.79 g/mol |
| LogP | -6.83591 |
| Topological Polar Surface Area | 372.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 9 |
| Exact Mass | 1047.7876 |
| Heavy Atoms | 62 |
| Complexity | 1770.0 |
Chemical Identifiers
| CAS Number | 71735-63-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N=NC2=CC=CC(=C2)NC3=C(C(=NC(=N3)Cl)Cl)Cl)[C-](N=NC4=C(C=C(C=C4)S(=O)(=O)[O-])C(=O)[O-])N=NC5=C(C(=CC(=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-].[Na+].[Na+].[Na+].[Na+].[Cu+2] |
| InChIKey | AKDMEXZPMVJFAU-UHFFFAOYSA-I |
Product Overview
EINECS 275-961-4 (CAS 71735-63-2), with molecular formula C30H14Cl3CuN9Na4O12S3 and molecular weight 1047.79 g/mol. IUPAC: copper;tetrasodium;2-[[[(2-oxido-3,5-disulfonatophenyl)diazenyl]-[3-[[3-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]diazenyl]phenyl]methyl]diazenyl]-5-sulfonatobenzoate.
Chemical Property Profile of EINECS 275-961-4
Property Insights of EINECS 275-961-4
The XLogP value of -6.83591 indicates that EINECS 275-961-4 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 372.0 Ų indicates high polarity, suggesting EINECS 275-961-4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 275-961-4 has 1 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 275-961-4?
The CAS number of EINECS 275-961-4 is 71735-63-2.
What is the molecular formula of EINECS 275-961-4?
The molecular formula of EINECS 275-961-4 is C30H14Cl3CuN9Na4O12S3.
What is the molecular weight of EINECS 275-961-4?
The molecular weight of EINECS 275-961-4 is 1047.79 g/mol.
Where can I buy EINECS 275-961-4?
You can request a quote for EINECS 275-961-4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 275-961-4?
Yes, KEHONG BIO provides custom synthesis services for EINECS 275-961-4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.