RefChem:576430
TL;DR: RefChem:576430 (CAS 93606-20-3) is a chemical compound with molecular formula C36H19CrN7NaO13S and molecular weight 864.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);1-[[3-(dioxidoamino)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate
Also Known As: Chromate(2-), (1-(2-(2-(hydroxy-kappaO)-3,5-dinitrophenyl)diazenyl-kappaN1)-2-naphthalenolato(2-)-kappaO)(3-(hydroxy-kappaO)-4-(2-(2-(hydroxy-kappaO)-1-naphthalenyl)diazenyl-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, sodium hydrogen (1:1:1), Chromate(2-), (1-((2-hydroxy-3,5-dinitrophenyl)azo)-2-naphthalenolato(2-))(3-hydroxy-4-((2-hydroxy-1-naphthalenyl)azo)-7-nitro-1-naphthalenesulfonato(3-))-, sodium hydrogen, Chromate(2-), [1-[(2-hydroxy-3,5-dinitrophenyl)azo]-2-naphthalenolato(2-)][3-hydroxy-4-[(2-hydroxy-1-naphthalenyl)azo]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium hydrogen, Chromate(2-), [1-[[2-(hydroxy-.kappa.O)-3,5-dinitrophenyl]azo-.kappa.N1]-2-naphthalenolato(2-)-.kappa.O][3-(hydroxy-.kappa.O)-4-[[2-(hydroxy-.kappa.O)-1-naphthalenyl]azo-.kappa.N1]-7-nitro-1-naphthalenesulfonato(3-)]-, sodium hydrogen, Chromate(2-), (1-((2-(hydroxy-kappaO)-3,5-dinitrophenyl)azo-kappaN1)-2-naphthalenolato(2-)-kappaO)(3-(hydroxy-kappaO)-4-((2-(hydroxy-kappaO)-1-naphthalenyl)azo-kappaN1)-7-nitro-1-naphthalenesulfonato(3-))-, sodium hydrogen
| Molecular Formula | C36H19CrN7NaO13S |
|---|---|
| Molecular Weight | 864.01 g/mol |
| LogP | 1.8343 |
| Topological Polar Surface Area | 336.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 3 |
| Exact Mass | 864.0064 |
| Heavy Atoms | 59 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 93606-20-3 |
|---|---|
| SMILES | [H+].C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C=CC(=CC4=C(C=C3[O-])S(=O)(=O)[O-])[N+](=O)[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=C(C=C(C3=O)[N+](=O)[O-])N([O-])[O-].[Na+].[Cr+3] |
| InChIKey | MSFOAPXUWZCYJJ-UHFFFAOYSA-L |
Product Overview
RefChem:576430 (CAS 93606-20-3), with molecular formula C36H19CrN7NaO13S and molecular weight 864.01 g/mol. IUPAC: sodium;chromium(3+);1-[[3-(dioxidoamino)-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;hydron;7-nitro-3-oxido-4-[(2-oxidonaphthalen-1-yl)diazenyl]naphthalene-1-sulfonate.
Chemical Property Profile of RefChem:576430
Property Insights of RefChem:576430
The XLogP value of 1.8343 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576430. The TPSA of 336.0 Ų indicates high polarity, suggesting RefChem:576430 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576430 has 1 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:576430?
The CAS number of RefChem:576430 is 93606-20-3.
What is the molecular formula of RefChem:576430?
The molecular formula of RefChem:576430 is C36H19CrN7NaO13S.
What is the molecular weight of RefChem:576430?
The molecular weight of RefChem:576430 is 864.01 g/mol.
Where can I buy RefChem:576430?
You can request a quote for RefChem:576430 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576430?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576430 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.