RefChem:79935
TL;DR: RefChem:79935 (CAS 75198-83-3) is a chemical compound with molecular formula C21H12ClFN7Na3O12S3 and molecular weight 772.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;4-[[5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-1-(2,5-disulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4-((5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-1-(2,5-disulfophenyl)-4,5-dihydro-5-oxo-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-((5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-1-(2,5-disulfophenyl)-4,5-dihydro-5-oxo-, sodium salt (1:3), 3-Carboxy-4-((5-((5-chloro-2-fluoro-4-methylpyrimidin-6-yl)amino)-2-sulfophenyl)azo)-5-oxo-1-(2,5-disulfophenyl)-1H-pyrazol-2-ine, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-[[5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-1-(2,5-disulfophenyl)-4,5-dihydro-5-oxo-, trisodium salt, 1H-Pyrazole-3-carboxylic acid, 4-[2-[5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-1-(2,5-disulfophenyl)-4,5-dihydro-5-oxo-, sodium salt (1:3)
| Molecular Formula | C21H12ClFN7Na3O12S3 |
|---|---|
| Molecular Weight | 772.91 g/mol |
| LogP | -9.00698 |
| Topological Polar Surface Area | 329.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 6 |
| Exact Mass | 772.90717 |
| Heavy Atoms | 48 |
| Complexity | 1520.0 |
Chemical Identifiers
| CAS Number | 75198-83-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)F)NC2=CC(=C(C=C2)S(=O)(=O)O)N=NC3C(=NN(C3=O)C4=C(C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=O)[O-])Cl.[Na+].[Na+].[Na+] |
| InChIKey | ANCGYXQCWJWXIT-UHFFFAOYSA-K |
Product Overview
RefChem:79935 (CAS 75198-83-3), with molecular formula C21H12ClFN7Na3O12S3 and molecular weight 772.91 g/mol. IUPAC: trisodium;4-[[5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-2-sulfophenyl]diazenyl]-1-(2,5-disulfonatophenyl)-5-oxo-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:79935
Property Insights of RefChem:79935
The XLogP value of -9.00698 indicates that RefChem:79935 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 329.0 Ų indicates high polarity, suggesting RefChem:79935 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:79935 has 2 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:79935?
The CAS number of RefChem:79935 is 75198-83-3.
What is the molecular formula of RefChem:79935?
The molecular formula of RefChem:79935 is C21H12ClFN7Na3O12S3.
What is the molecular weight of RefChem:79935?
The molecular weight of RefChem:79935 is 772.91 g/mol.
Where can I buy RefChem:79935?
You can request a quote for RefChem:79935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:79935?
Yes, KEHONG BIO provides custom synthesis services for RefChem:79935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.