RefChem:576747
TL;DR: RefChem:576747 (CAS 55613-78-0) is a chemical compound with molecular formula C32H23CrN10O14S2 and molecular weight 887.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chromium(3+);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;hydron;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate
Also Known As: Chromate(3-), bis(4-(4,5-dihydro-4-((2-(hydroxy-kappaO)-5-nitrophenyl)azo-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, trihydrogen, Chromate(3-), bis(2,4-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-5-methyl-2-(4-sulfophenyl)-3H-pyrazol-3-onato(2-))-, trihydrogen, Chromate(3-), bis(4-(4,5-dihydro-4-(2-(2-(hydroxy-kappaO)-5-nitrophenyl)diazenyl-kappaN1)-3-methyl-5-(oxo-kappaO)-1H-pyrazol-1-yl)benzenesulfonato(3-))-, hydrogen (1:3), Chromate(3-), bis[4-[4,5-dihydro-4-[[2-(hydroxy-.kappa.O)-5-nitrophenyl]azo-.kappa.N1]-3-methyl-5-(oxo-.kappa.O)-1H-pyrazol-1-yl]benzenesulfonato(3-)]-, trihydrogen, Trihydrogen bis(4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonato(3-))chromate(3-)
| Molecular Formula | C32H23CrN10O14S2 |
|---|---|
| Molecular Weight | 887.02 g/mol |
| LogP | 2.32122 |
| Topological Polar Surface Area | 389.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 5 |
| Exact Mass | 887.0242 |
| Heavy Atoms | 59 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 55613-78-0 |
|---|---|
| SMILES | [H+].[H+].[H+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)[N+](=O)[O-])[O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].CC1=NN(C(=O)C1=NN=C2C=C(C=CC2=O)N([O-])[O-])C3=CC=C(C=C3)S(=O)(=O)[O-].[Cr+3] |
| InChIKey | HPKHKGGWSLHQNK-UHFFFAOYSA-M |
Product Overview
RefChem:576747 (CAS 55613-78-0), with molecular formula C32H23CrN10O14S2 and molecular weight 887.02 g/mol. IUPAC: chromium(3+);4-[4-[[3-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-3-methyl-5-oxopyrazol-1-yl]benzenesulfonate;hydron;4-[3-methyl-4-[(5-nitro-2-oxidophenyl)diazenyl]-5-oxidopyrazol-1-yl]benzenesulfonate.
Chemical Property Profile of RefChem:576747
Property Insights of RefChem:576747
The XLogP value of 2.32122 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:576747. The TPSA of 389.0 Ų indicates high polarity, suggesting RefChem:576747 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576747 has 3 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576747?
The CAS number of RefChem:576747 is 55613-78-0.
What is the molecular formula of RefChem:576747?
The molecular formula of RefChem:576747 is C32H23CrN10O14S2.
What is the molecular weight of RefChem:576747?
The molecular weight of RefChem:576747 is 887.02 g/mol.
Where can I buy RefChem:576747?
You can request a quote for RefChem:576747 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576747?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576747 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.