RefChem:576205
TL;DR: RefChem:576205 (CAS 71598-33-9) is a chemical compound with molecular formula C36H29ClCrN7O9S2 and molecular weight 854.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate;chromium(3+);hydron
Also Known As: Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)(N-(7-(hydroxy-kappaO)-8-((2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)azo-kappaN1)-1-naphthalenyl)acetamidato(2-))-, hydrogen, Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-5-methyl-3H-pyrazol-3-onato(2-)-kappaO3)(N-(7-(hydroxy-kappaO)-8-(2-(2-(hydroxy-kappaO)-5-(methylsulfonyl)phenyl)diazenyl-kappaN1)-1-naphthalenyl)acetamidato(2-))-, hydrogen (1:1), Chromate(1-), [2-(3-chlorophenyl)-2,4-dihydro-4-[[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]azo-.kappa.N1]-5-methyl-3H-pyrazol-3-onato(2-)-.kappa.O3][N-[7-(hydroxy-.kappa.O)-8-[[2-(hydroxy-.kappa.O)-5-(methylsulfonyl)phenyl]azo-.kappa.N1]-1-naphthalenyl]acetamidato(2-)]-, hydrogen, 8-acetamido-1-(5-methylsulfonyl-2-oxido-phenyl)diazenyl-naphthalen-2-olate; [1-(3-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-yl]-[(3-methylsulfonyl-6-oxo-1-cyclohexa-2,4-dienylidene)amino]azanide; chromium(+3) cation; hydrogen(+1) cation, 8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate; 2-(3-chlorophenyl)-5-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-3-olate; chromium(3+); hydron
| Molecular Formula | C36H29ClCrN7O9S2 |
|---|---|
| Molecular Weight | 854.06 g/mol |
| LogP | 5.67452 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 854.05615 |
| Heavy Atoms | 56 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 71598-33-9 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)C)[O-])[O-])C3=CC(=CC=C3)Cl.CC(=O)NC1=CC=CC2=C1C(=C(C=C2)[O-])N=NC3=C(C=CC(=C3)S(=O)(=O)C)[O-].[Cr+3] |
| InChIKey | GTRGTKTWILDZSX-UHFFFAOYSA-K |
Product Overview
RefChem:576205 (CAS 71598-33-9), with molecular formula C36H29ClCrN7O9S2 and molecular weight 854.06 g/mol. IUPAC: 8-acetamido-1-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]naphthalen-2-olate;1-(3-chlorophenyl)-3-methyl-4-[(5-methylsulfonyl-2-oxidophenyl)diazenyl]pyrazol-5-olate;chromium(3+);hydron.
Chemical Property Profile of RefChem:576205
Property Insights of RefChem:576205
The XLogP value of 5.67452 indicates that RefChem:576205 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 274.0 Ų indicates high polarity, suggesting RefChem:576205 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576205 has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576205?
The CAS number of RefChem:576205 is 71598-33-9.
What is the molecular formula of RefChem:576205?
The molecular formula of RefChem:576205 is C36H29ClCrN7O9S2.
What is the molecular weight of RefChem:576205?
The molecular weight of RefChem:576205 is 854.06 g/mol.
Where can I buy RefChem:576205?
You can request a quote for RefChem:576205 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576205?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576205 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.