EINECS 268-676-1
TL;DR: EINECS 268-676-1 (CAS 68133-33-5) is a chemical compound with molecular formula C18H20Cl2N6Na2O6S2 and molecular weight 596.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;2-[[2-chloro-4-[3-chloro-4-[methyl-(2-sulfonatoethyldiazenyl)amino]phenyl]-N-methylanilino]diazenyl]ethanesulfonate
Also Known As: Ethanesulfonic acid, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl)]bis-, disodium salt, 3,3'-Dichloro-4,4'-((bis(N-methyl-N-(2-sulfoethyl))triazeno)biphenyl, disodium salt, disodium 2,2'-{(3,3'-dichlorobiphenyl-4,4'-diyl)bis[(1e)-3-methyltriaz-1-ene-3,1-diyl]}diethanesulfonate, Ethanesulfonic acid, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl))bis-, disodium salt, Ethanesulfonic acid, 2,2'-((3,3'-dichloro(1,1'-biphenyl)-4,4'-diyl)bis(1-methyl-2-triazene-3,1-diyl))bis-, sodium salt (1:2)
| Molecular Formula | C18H20Cl2N6Na2O6S2 |
|---|---|
| Molecular Weight | 596.01 g/mol |
| LogP | -2.63 |
| Topological Polar Surface Area | 187.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 596.0058 |
| Heavy Atoms | 36 |
| Complexity | 810.0 |
Chemical Identifiers
| CAS Number | 68133-33-5 |
|---|---|
| SMILES | CN(C1=C(C=C(C=C1)C2=CC(=C(C=C2)N(C)N=NCCS(=O)(=O)[O-])Cl)Cl)N=NCCS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | ZHSMSCHKPOZRCJ-UHFFFAOYSA-L |
Product Overview
EINECS 268-676-1 (CAS 68133-33-5), with molecular formula C18H20Cl2N6Na2O6S2 and molecular weight 596.01 g/mol. IUPAC: disodium;2-[[2-chloro-4-[3-chloro-4-[methyl-(2-sulfonatoethyldiazenyl)amino]phenyl]-N-methylanilino]diazenyl]ethanesulfonate.
Chemical Property Profile of EINECS 268-676-1
Property Insights of EINECS 268-676-1
The XLogP value of -2.63 indicates that EINECS 268-676-1 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 187.0 Ų indicates high polarity, suggesting EINECS 268-676-1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, EINECS 268-676-1 has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of EINECS 268-676-1?
The CAS number of EINECS 268-676-1 is 68133-33-5.
What is the molecular formula of EINECS 268-676-1?
The molecular formula of EINECS 268-676-1 is C18H20Cl2N6Na2O6S2.
What is the molecular weight of EINECS 268-676-1?
The molecular weight of EINECS 268-676-1 is 596.01 g/mol.
Where can I buy EINECS 268-676-1?
You can request a quote for EINECS 268-676-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 268-676-1?
Yes, KEHONG BIO provides custom synthesis services for EINECS 268-676-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.