Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
TL;DR: Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (CAS 52126-51-9) is a chemical compound with molecular formula C10H6N2Na2O6S and molecular weight 327.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
disodium;5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
Also Known As: MSK002149Na, EINECS 222-444-6, Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate, Disodium 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylate, disodium;5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
| Molecular Formula | C10H6N2Na2O6S |
|---|---|
| Molecular Weight | 327.97 g/mol |
| LogP | -7.5587 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 327.97418 |
| Heavy Atoms | 21 |
| Complexity | 686.0044 |
Chemical Identifiers
| CAS Number | 52126-51-9 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)[O-])C(=O)[O-].[Na+].[Na+] |
Product Overview
Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (CAS 52126-51-9), with molecular formula C10H6N2Na2O6S and molecular weight 327.97 g/mol. IUPAC: disodium;5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate.
Chemical Property Profile of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
Property Insights of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
The XLogP value of -7.5587 indicates that Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate. Following Lipinski's Rule of Five, Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate?
The CAS number of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is 52126-51-9.
What is the molecular formula of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate?
The molecular formula of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is C10H6N2Na2O6S.
What is the molecular weight of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate?
The molecular weight of Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate is 327.97 g/mol.
Where can I buy Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate?
You can request a quote for Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Disodium 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.