![4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid structure](/static/products/2798/27981-70-0.webp)
4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
TL;DR: 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid (CAS 27981-70-0) is a chemical compound with molecular formula C24H22N4O8S2 and molecular weight 558.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-methyl-4-[4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid
Also Known As: 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid, 4-[5-methyl-4-[4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid, P-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]but-2-enylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
| Molecular Formula | C24H22N4O8S2 |
|---|---|
| Molecular Weight | 558.09 g/mol |
| LogP | 2.71982 |
| Topological Polar Surface Area | 179.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.0879 |
| Heavy Atoms | 38 |
| Complexity | 1810.7532 |
Chemical Identifiers
| CAS Number | 27981-70-0 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C(=CC=C3C(=NN(C3=O)C4=CC=C(C=C4)S(=O)(=O)O)C)C |
Product Overview
4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid (CAS 27981-70-0), with molecular formula C24H22N4O8S2 and molecular weight 558.09 g/mol. IUPAC: 4-[5-methyl-4-[4-[3-methyl-5-oxo-1-(4-sulfophenyl)pyrazol-4-ylidene]but-2-en-2-yl]-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid.
Chemical Property Profile of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
Property Insights of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid
The XLogP value of 2.71982 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid. The TPSA of 179.2 Ų indicates high polarity, suggesting 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
The CAS number of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid is 27981-70-0.
What is the molecular formula of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
The molecular formula of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid is C24H22N4O8S2.
What is the molecular weight of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
The molecular weight of 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid is 558.09 g/mol.
Where can I buy 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
You can request a quote for 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4,5-Dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-buten-1-ylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.