Einecs 266-182-0
TL;DR: Einecs 266-182-0 (CAS 66142-95-8) is a chemical compound with molecular formula C56H66CrN12O14S2-3 and molecular weight 1246.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);bis(N-cyclohexylcyclohexanamine);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Also Known As: Benzenesulfonic acid, 4-(5-hydroxy-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-1-pyrazolyl)-, chromium complex, compound with dicyclohexylamine (1:2), Chromate(3-), bis(4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, trihydrogen, compd. with N-cyclohexylcyclohexanamine (1:2), Chromate(3-), bis(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, hydrogen, compd. with N-cyclohexylcyclohexanamine (1:3:2), Chromate(3-), bis[4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trihydrogen, compd. with N-cyclohexylcyclohexanamine (1:2), Chromate(3-), bis[4-[4,5-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trihydrogen, compd. with N-cyclohexylcyclohexanamine (1:2)
| Molecular Formula | C56H66CrN12O14S2-3 |
|---|---|
| Molecular Weight | 1246.37 g/mol |
| LogP | 8.46652 |
| Topological Polar Surface Area | 414.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 23 |
| Rotatable Bonds | 9 |
| Exact Mass | 1246.3668 |
| Heavy Atoms | 85 |
| Complexity | 819.0 |
Chemical Identifiers
| CAS Number | 66142-95-8 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].C1CCC(CC1)NC2CCCCC2.C1CCC(CC1)NC2CCCCC2.[Cr+3] |
| InChIKey | VLFZNUDSHQJCIZ-UHFFFAOYSA-J |
Product Overview
Einecs 266-182-0 (CAS 66142-95-8), with molecular formula C56H66CrN12O14S2-3 and molecular weight 1246.37 g/mol. IUPAC: chromium(3+);bis(N-cyclohexylcyclohexanamine);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of Einecs 266-182-0
Property Insights of Einecs 266-182-0
The XLogP value of 8.46652 indicates that Einecs 266-182-0 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 414.0 Ų indicates high polarity, suggesting Einecs 266-182-0 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Einecs 266-182-0 has 2 hydrogen bond donor(s) and 23 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Einecs 266-182-0?
The CAS number of Einecs 266-182-0 is 66142-95-8.
What is the molecular formula of Einecs 266-182-0?
The molecular formula of Einecs 266-182-0 is C56H66CrN12O14S2-3.
What is the molecular weight of Einecs 266-182-0?
The molecular weight of Einecs 266-182-0 is 1246.37 g/mol.
Where can I buy Einecs 266-182-0?
You can request a quote for Einecs 266-182-0 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 266-182-0?
Yes, KEHONG BIO provides custom synthesis services for Einecs 266-182-0 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.