RefChem:576206
TL;DR: RefChem:576206 (CAS 70281-41-3) is a chemical compound with molecular formula C36H28ClCrN7NaO9S2 and molecular weight 876.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;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+)
Also Known As: Chromate(1-), (2-(3-chlorophenyl)-2,4-dihydro-4-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-5-methyl-3H-pyrazol-3-onato(2-))(N-(7-hydroxy-8-((2-hydroxy-5-(methylsulfonyl)phenyl)azo)-1-naphthalenyl)acetamidato(2-))-, sodium, 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-))-, sodium, 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-))-, sodium (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-)]-, sodium, Chromate(1-), [2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulfonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-onato(2-)][N-[7-hydroxy-8-[[2-hydroxy-5-(methylsulfonyl)phenyl]azo]-1-naphthalenyl]acetamidato(2-)]-, sodium
| Molecular Formula | C36H28ClCrN7NaO9S2 |
|---|---|
| Molecular Weight | 876.04 g/mol |
| LogP | 2.56602 |
| Topological Polar Surface Area | 274.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 876.03815 |
| Heavy Atoms | 57 |
| Complexity | 1340.0 |
Chemical Identifiers
| CAS Number | 70281-41-3 |
|---|---|
| SMILES | 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-].[Na+].[Cr+3] |
| InChIKey | UXMVCSKKXMQYPT-UHFFFAOYSA-J |
Product Overview
RefChem:576206 (CAS 70281-41-3), with molecular formula C36H28ClCrN7NaO9S2 and molecular weight 876.04 g/mol. IUPAC: sodium;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+).
Chemical Property Profile of RefChem:576206
Property Insights of RefChem:576206
The XLogP value of 2.56602 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576206. The TPSA of 274.0 Ų indicates high polarity, suggesting RefChem:576206 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576206 has 1 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:576206?
The CAS number of RefChem:576206 is 70281-41-3.
What is the molecular formula of RefChem:576206?
The molecular formula of RefChem:576206 is C36H28ClCrN7NaO9S2.
What is the molecular weight of RefChem:576206?
The molecular weight of RefChem:576206 is 876.04 g/mol.
Where can I buy RefChem:576206?
You can request a quote for RefChem:576206 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576206?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576206 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.