RefChem:897522
TL;DR: RefChem:897522 (CAS 68541-69-5) is a chemical compound with molecular formula C32H21CrN8Na4O16S4 and molecular weight 1044.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tetrasodium;chromium(3+);hydron;bis(5-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate)
Also Known As: Chromate(5-), bis(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxy-3-benzenedisulfonato(4-))-, tetrasodium hydrogen, Chromate(5-), bis(5-(2-(4,5-dihydro-3-methyl-5-(oxo-kappaO)-1-phenyl-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-(hydroxy-kappaO)-1,3-benzenedisulfonato(4-))-, sodium hydrogen (1:4:1), Chromate(5-), bis[5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-3-benzenedisulfonato(4-)]-, tetrasodium hydrogen, Tetrasodium hydrogen bis(5-((4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo)-4-hydroxybenzene-x,3-disulphonato(4-))chromate(5-), Tetrasodium hydrogen bis[5-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxybenzene-x,3-disulphonato(4-)]chromate(5-)
| Molecular Formula | C32H21CrN8Na4O16S4 |
|---|---|
| Molecular Weight | 1044.90 g/mol |
| LogP | -10.77096 |
| Topological Polar Surface Area | 440.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 6 |
| Exact Mass | 1044.8954 |
| Heavy Atoms | 65 |
| Complexity | 808.0 |
Chemical Identifiers
| CAS Number | 68541-69-5 |
|---|---|
| SMILES | [H+].CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.CC1=NN(C(=C1N=NC2=C(C(=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])[O-])[O-])C3=CC=CC=C3.[Na+].[Na+].[Na+].[Na+].[Cr+3] |
| InChIKey | JIVPUYTVDIRMBI-UHFFFAOYSA-G |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:897522 (CAS 68541-69-5), with molecular formula C32H21CrN8Na4O16S4 and molecular weight 1044.90 g/mol. IUPAC: tetrasodium;chromium(3+);hydron;bis(5-[(3-methyl-5-oxido-1-phenylpyrazol-4-yl)diazenyl]-4-oxidobenzene-1,3-disulfonate).
Chemical Property Profile of RefChem:897522
Property Insights of RefChem:897522
The XLogP value of -10.77096 indicates that RefChem:897522 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 440.0 Ų indicates high polarity, suggesting RefChem:897522 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:897522 has 1 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:897522?
The CAS number of RefChem:897522 is 68541-69-5.
What is the molecular formula of RefChem:897522?
The molecular formula of RefChem:897522 is C32H21CrN8Na4O16S4.
What is the molecular weight of RefChem:897522?
The molecular weight of RefChem:897522 is 1044.90 g/mol.
Where can I buy RefChem:897522?
You can request a quote for RefChem:897522 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:897522?
Yes, KEHONG BIO provides custom synthesis services for RefChem:897522 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.