RefChem:576388
TL;DR: RefChem:576388 (CAS 68039-65-6) is a chemical compound with molecular formula C32H26CrLiN10O8S2 and molecular weight 801.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
lithium;chromium(3+);bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate)
Also Known As: chromium(3+) lithium 3-methyl-4-[(e)-(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenyl-1h-pyrazol-5-olate(1:1:2), Lithium bis(3-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzenesulphonamidato(2-))chromate(1-), 268-272-5, Chromate(1-), bis(3-((4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)azo-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, lithium, Chromate(1-), bis(3-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)benzenesulfonamidato(2-))-, lithium (1:1)
| Molecular Formula | C32H26CrLiN10O8S2 |
|---|---|
| Molecular Weight | 801.09 g/mol |
| LogP | -0.22 |
| Topological Polar Surface Area | 314.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 8 |
| Exact Mass | 801.0942 |
| Heavy Atoms | 54 |
| Complexity | 604.0 |
Chemical Identifiers
| CAS Number | 68039-65-6 |
|---|---|
| SMILES | [Li+].CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C=CC(=C2)S(=O)(=O)N)[O-])[O-])C3=CC=CC=C3.[Cr+3] |
| InChIKey | STMSDDRNQUWATN-UHFFFAOYSA-J |
Product Overview
RefChem:576388 (CAS 68039-65-6), with molecular formula C32H26CrLiN10O8S2 and molecular weight 801.09 g/mol. IUPAC: lithium;chromium(3+);bis(3-methyl-4-[(2-oxido-5-sulfamoylphenyl)diazenyl]-1-phenylpyrazol-5-olate).
Chemical Property Profile of RefChem:576388
Property Insights of RefChem:576388
The XLogP value of -0.22 indicates that RefChem:576388 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 314.0 Ų indicates high polarity, suggesting RefChem:576388 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:576388 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:576388?
The CAS number of RefChem:576388 is 68039-65-6.
What is the molecular formula of RefChem:576388?
The molecular formula of RefChem:576388 is C32H26CrLiN10O8S2.
What is the molecular weight of RefChem:576388?
The molecular weight of RefChem:576388 is 801.09 g/mol.
Where can I buy RefChem:576388?
You can request a quote for RefChem:576388 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:576388?
Yes, KEHONG BIO provides custom synthesis services for RefChem:576388 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.