Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium
TL;DR: Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium (CAS 95566-36-2) is a chemical compound with molecular formula C18H12CrN4NaO9S2 and molecular weight 566.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;chromium(3+);2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate
Also Known As: Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium, Chromate(1-), [2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl]azo]-4-sulfobenzoato(4-)]-, sodium, Chromate(1-), (2-(2-(4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-(oxo-kappaO)-1H-pyrazol-4-yl)diazenyl-kappaN1)-4-sulfobenzoato(4-)-kappaO)-, sodium (1:1), Chromate(1-), [2-[[4,5-dihydro-3-methyl- 1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl ]azo]-4-sulfobenzoato(4-)]-, sodium, chromium(3+) sodium 2-{(e)-[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxido-1h-pyrazol-4-yl]diazenyl}-4-sulfonatobenzoate(1:1:1)
| Molecular Formula | C18H12CrN4NaO9S2 |
|---|---|
| Molecular Weight | 566.93 g/mol |
| LogP | -2.84866 |
| Topological Polar Surface Area | 237.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 3 |
| Exact Mass | 566.9348 |
| Heavy Atoms | 35 |
| Complexity | 930.0 |
Chemical Identifiers
| CAS Number | 95566-36-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)S(=O)(=O)[O-])N2C(=C(C(=N2)C)N=NC3=C(C=CC(=C3)S(=O)(=O)[O-])C(=O)[O-])[O-].[Na+].[Cr+3] |
| InChIKey | YPBWXDKFSCLKKT-UHFFFAOYSA-J |
Product Overview
Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium (CAS 95566-36-2), with molecular formula C18H12CrN4NaO9S2 and molecular weight 566.93 g/mol. IUPAC: sodium;chromium(3+);2-[[3-methyl-1-(3-methyl-5-sulfonatophenyl)-5-oxidopyrazol-4-yl]diazenyl]-4-sulfonatobenzoate.
Chemical Property Profile of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium
Property Insights of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium
The XLogP value of -2.84866 indicates that Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 237.0 Ų indicates high polarity, suggesting Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium?
The CAS number of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium is 95566-36-2.
What is the molecular formula of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium?
The molecular formula of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium is C18H12CrN4NaO9S2.
What is the molecular weight of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium?
The molecular weight of Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium is 566.93 g/mol.
Where can I buy Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium?
You can request a quote for Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium?
Yes, KEHONG BIO provides custom synthesis services for Chromate(1-), (2-((4,5-dihydro-3-methyl-1-(2-methyl-4-sulfophenyl)-5-oxo-1H-pyrazol-4-yl)azo)-4-sulfobenzoato(4-))-, sodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.