RefChem:576215
TL;DR: RefChem:576215 (CAS 68227-17-8) is a chemical compound with molecular formula C28H24CrN4NaO6 and molecular weight 587.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;5-tert-butyl-2-oxidobenzoate;chromium(3+);2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate
Also Known As: Chromate(1-), (2-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium, Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)benzoato(2-)-kappaO)(2-(hydroxy-kappaO)-5-(1,1-dimethylethyl)benzoato(2-)-kappaO)-, sodium (1:1), Chromate(1-), [2-[[4,5-dihydro-3-methyl-5-(oxo-.kappa.O)-1-phenyl-1H-pyrazol-4-yl]azo-.kappa.N1]benzoato(2-)-.kappa.O][2-(hydroxy-.kappa.O)-5-(1,1-dimethylethyl)benzoato(2-)-.kappa.O]-, sodium, Sodium (5-tert-butylsalicylato(2-)O1,O2)(2-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)benzoato(2-))chromate(1-), Chromate(1-), [2-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]benzoato(2-)][2-hydroxy-5-(1,1-dimethylethyl)benzoato(2-)-O1,O2]-, sodium
| Molecular Formula | C28H24CrN4NaO6 |
|---|---|
| Molecular Weight | 587.10 g/mol |
| LogP | -0.54408 |
| Topological Polar Surface Area | 169.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 587.09985 |
| Heavy Atoms | 40 |
| Complexity | 673.0 |
Chemical Identifiers
| CAS Number | 68227-17-8 |
|---|---|
| SMILES | CC1=NN(C(=C1N=NC2=CC=CC=C2C(=O)[O-])[O-])C3=CC=CC=C3.CC(C)(C)C1=CC(=C(C=C1)[O-])C(=O)[O-].[Na+].[Cr+3] |
| InChIKey | JMTAZVPKLURGHG-UHFFFAOYSA-J |
Product Overview
RefChem:576215 (CAS 68227-17-8), with molecular formula C28H24CrN4NaO6 and molecular weight 587.10 g/mol. IUPAC: sodium;5-tert-butyl-2-oxidobenzoate;chromium(3+);2-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]benzoate.
Chemical Property Profile of RefChem:576215
Property Insights of RefChem:576215
The XLogP value of -0.54408 indicates that RefChem:576215 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 169.0 Ų indicates high polarity, suggesting RefChem:576215 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576215 has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576215?
The CAS number of RefChem:576215 is 68227-17-8.
What is the molecular formula of RefChem:576215?
The molecular formula of RefChem:576215 is C28H24CrN4NaO6.
What is the molecular weight of RefChem:576215?
The molecular weight of RefChem:576215 is 587.10 g/mol.
Where can I buy RefChem:576215?
You can request a quote for RefChem:576215 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576215?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576215 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.