RefChem:576811
TL;DR: RefChem:576811 (CAS 95892-10-7) is a chemical compound with molecular formula C40H29CrN8O16S4 and molecular weight 1057.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);hydron;bis(4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidonaphthalene-1-sulfonate)
Also Known As: Chromate(5-), bis(4-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-))-, pentahydrogen, Chromate(5)-, bis(4-((4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl)azo)-3-hydroxy-1-naphthalenesulfonato(4-))-, pentahydrogen, Chromate(5-), bis(4-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-(3-sulfophenyl)-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-1-naphthalenesulfonato(4-))-, hydrogen (1:5), Chromate(5-), bis[4-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-1-naphthalenesulfonato(4-)]-, pentahydrogen, Chromate(5-), bis[4-[[4,5-dihydro-3-methyl-5-oxo-1-(3-sulfophenyl)-1H-pyrazol-4-yl]azo]-3-hydroxy-1-naphthalenesulfonato(4-)]-, pentahydrogen
| Molecular Formula | C40H29CrN8O16S4 |
|---|---|
| Molecular Weight | 1057.00 g/mol |
| LogP | 3.96944 |
| Topological Polar Surface Area | 440.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 6 |
| Exact Mass | 1056.9989 |
| Heavy Atoms | 69 |
| Complexity | 939.0 |
Chemical Identifiers
| CAS Number | 95892-10-7 |
|---|---|
| SMILES | [H+].[H+].[H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].CC1=NN(C(=C1N=NC2=C(C=C(C3=CC=CC=C32)S(=O)(=O)[O-])[O-])[O-])C4=CC(=CC=C4)S(=O)(=O)[O-].[Cr+3] |
| InChIKey | QADORQSNSXPLLL-UHFFFAOYSA-K |
Product Overview
RefChem:576811 (CAS 95892-10-7), with molecular formula C40H29CrN8O16S4 and molecular weight 1057.00 g/mol. IUPAC: chromium(3+);hydron;bis(4-[[3-methyl-5-oxido-1-(3-sulfonatophenyl)pyrazol-4-yl]diazenyl]-3-oxidonaphthalene-1-sulfonate).
Chemical Property Profile of RefChem:576811
Property Insights of RefChem:576811
The XLogP value of 3.96944 indicates that RefChem:576811 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 440.0 Ų indicates high polarity, suggesting RefChem:576811 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576811 has 5 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 RefChem:576811?
The CAS number of RefChem:576811 is 95892-10-7.
What is the molecular formula of RefChem:576811?
The molecular formula of RefChem:576811 is C40H29CrN8O16S4.
What is the molecular weight of RefChem:576811?
The molecular weight of RefChem:576811 is 1057.00 g/mol.
Where can I buy RefChem:576811?
You can request a quote for RefChem:576811 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576811?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576811 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.