RefChem:439018
TL;DR: RefChem:439018 (CAS 24199-80-2) is a chemical compound with molecular formula C18H13N4Na3O12S3 and molecular weight 641.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-((4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)azo)-1-(4-sulfophenyl)-, sodium salt, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-(2-(4-((2-(sulfooxy)ethyl)sulfonyl)phenyl)diazenyl)-1-(4-sulfophenyl)-, sodium salt (1:?), 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]-1-(4-sulfophenyl)-, sodium salt, 4,5-Dihydro-5-oxo-4-((4-((2-(sulphooxy)ethyl)sulphonyl)phenyl)azo)-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt, 4,5-dihydro-5-oxo-4-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid, sodium salt
| Molecular Formula | C18H13N4Na3O12S3 |
|---|---|
| Molecular Weight | 641.94 g/mol |
| LogP | -10.5418 |
| Topological Polar Surface Area | 280.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 7 |
| Exact Mass | 641.93854 |
| Heavy Atoms | 40 |
| Complexity | 1210.0 |
Chemical Identifiers
| CAS Number | 24199-80-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=NC2C(=NN(C2=O)C3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)CCOS(=O)(=O)[O-].[Na+].[Na+].[Na+] |
| InChIKey | KXTIQKNSPYHWHZ-UHFFFAOYSA-K |
Product Overview
RefChem:439018 (CAS 24199-80-2), with molecular formula C18H13N4Na3O12S3 and molecular weight 641.94 g/mol. IUPAC: trisodium;5-oxo-4-[[4-(2-sulfonatooxyethylsulfonyl)phenyl]diazenyl]-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of RefChem:439018
Property Insights of RefChem:439018
The XLogP value of -10.5418 indicates that RefChem:439018 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 280.0 Ų indicates high polarity, suggesting RefChem:439018 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:439018 has 0 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:439018?
The CAS number of RefChem:439018 is 24199-80-2.
What is the molecular formula of RefChem:439018?
The molecular formula of RefChem:439018 is C18H13N4Na3O12S3.
What is the molecular weight of RefChem:439018?
The molecular weight of RefChem:439018 is 641.94 g/mol.
Where can I buy RefChem:439018?
You can request a quote for RefChem:439018 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:439018?
Yes, KEHONG BIO provides custom synthesis services for RefChem:439018 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.