RefChem:576749
TL;DR: RefChem:576749 (CAS 68833-89-6) is a chemical compound with molecular formula C32H21Cl4CrN8O10S2 and molecular weight 932.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(5-chloro-3-[[1-(2-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate);chromium(3+);hydron
Also Known As: Chromate(3-), bis(5-chloro-3-((1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))-, trihydrogen, Chromate(3-), bis(5-chloro-3-(2-(1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-2-(hydroxy-kappaO)benzenesulfonato(3-))-, hydrogen (1:3), 5-chloro-3-[[1-(2-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate; chromium(3+); hydron, Chromate(3-), bis[5-chloro-3-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-2-(hydroxy-.kappa.O)benzenesulfonato(3-)]-, trihydrogen, Chromate(3-), bis[5-chloro-3-[[1-(2-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-hydroxybenzenesulfonato(3-)]-, trihydrogen
| Molecular Formula | C32H21Cl4CrN8O10S2 |
|---|---|
| Molecular Weight | 932.90 g/mol |
| LogP | 6.24344 |
| Topological Polar Surface Area | 308.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 932.89813 |
| Heavy Atoms | 57 |
| Complexity | 665.0 |
Chemical Identifiers
| CAS Number | 68833-89-6 |
|---|---|
| SMILES | [H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3Cl.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)Cl)S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3Cl.[Cr+3] |
| InChIKey | BSMLFUCYSYLWQV-UHFFFAOYSA-K |
Product Overview
RefChem:576749 (CAS 68833-89-6), with molecular formula C32H21Cl4CrN8O10S2 and molecular weight 932.90 g/mol. IUPAC: bis(5-chloro-3-[[1-(2-chlorophenyl)-3-methyl-5-oxidopyrazol-4-yl]diazenyl]-2-oxidobenzenesulfonate);chromium(3+);hydron.
Chemical Property Profile of RefChem:576749
Property Insights of RefChem:576749
The XLogP value of 6.24344 indicates that RefChem:576749 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 308.0 Ų indicates high polarity, suggesting RefChem:576749 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576749 has 3 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576749?
The CAS number of RefChem:576749 is 68833-89-6.
What is the molecular formula of RefChem:576749?
The molecular formula of RefChem:576749 is C32H21Cl4CrN8O10S2.
What is the molecular weight of RefChem:576749?
The molecular weight of RefChem:576749 is 932.90 g/mol.
Where can I buy RefChem:576749?
You can request a quote for RefChem:576749 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576749?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576749 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.