RefChem:576395
TL;DR: RefChem:576395 (CAS 71701-16-1) is a chemical compound with molecular formula C36H28CrN12NaO8S2 and molecular weight 895.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);bis(1-(3-cyanophenyl)-3-methyl-4-[[4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate)
Also Known As: Chromate(1-), bis(-4-((1-(3-cyanophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)azo-kappaN1)-3-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, sodium, Chromate(1-), bis(4-(2-(1-(3-cyanophenyl)-4,5-dihydro-3-methyl-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-3-(hydroxy-kappaO)-N-methylbenzenesulfonamidato(2-))-, sodium (1:1), Chromate(1-), bis[-4-[[1-(3-cyanophenyl)-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]azo-.kappa.N1]-3-(hydroxy-.kappa.O)-N-methylbenzenesulfonamidato(2-)]-, sodium, Chromate(1-), bis[-4-[[1-(3-cyanophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-3-hydroxy-N-methylbenzenesulfonamidato(2-)]-, sodium, Chromate(1-), bis[4-[2-[1-(3-cyanophenyl)-4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-4-yl]diazenyl-.kappa.N1]-3-(hydroxy-.kappa.O)-N-methylbenzenesulfonamidato(2-)]-, sodium (1:1)
| Molecular Formula | C36H28CrN12NaO8S2 |
|---|---|
| Molecular Weight | 895.09 g/mol |
| LogP | 0.0477 |
| Topological Polar Surface Area | 334.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 10 |
| Exact Mass | 895.0897 |
| Heavy Atoms | 60 |
| Complexity | 747.0 |
Chemical Identifiers
| CAS Number | 71701-16-1 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC(=C3)C#N.CC1=NN(C(=C1N=NC2=C(C=C(C=C2)S(=O)(=O)NC)[O-])[O-])C3=CC=CC(=C3)C#N.[Na+].[Cr+3] |
| InChIKey | NVWQTUGRLZZEPT-UHFFFAOYSA-J |
Product Overview
RefChem:576395 (CAS 71701-16-1), with molecular formula C36H28CrN12NaO8S2 and molecular weight 895.09 g/mol. IUPAC: sodium;chromium(3+);bis(1-(3-cyanophenyl)-3-methyl-4-[[4-(methylsulfamoyl)-2-oxidophenyl]diazenyl]pyrazol-5-olate).
Chemical Property Profile of RefChem:576395
Property Insights of RefChem:576395
The XLogP value of 0.0477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576395. The TPSA of 334.0 Ų indicates high polarity, suggesting RefChem:576395 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576395 has 2 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576395?
The CAS number of RefChem:576395 is 71701-16-1.
What is the molecular formula of RefChem:576395?
The molecular formula of RefChem:576395 is C36H28CrN12NaO8S2.
What is the molecular weight of RefChem:576395?
The molecular weight of RefChem:576395 is 895.09 g/mol.
Where can I buy RefChem:576395?
You can request a quote for RefChem:576395 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576395?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576395 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.