4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid
TL;DR: 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid (CAS 71872-96-3) is a chemical compound with molecular formula C11H10N2O6S and molecular weight 298.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid
Also Known As: EINECS 276-105-2, 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid, 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid, 4,5-dihydro-5-oxo-1- -1H-pyrazole-3-aceticacid, [5-Oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
| Molecular Formula | C11H10N2O6S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 0.5007 |
| Topological Polar Surface Area | 124.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.02597 |
| Heavy Atoms | 20 |
| Complexity | 692.1285 |
Chemical Identifiers
| CAS Number | 71872-96-3 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)CC(=O)O |
Product Overview
4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid (CAS 71872-96-3), with molecular formula C11H10N2O6S and molecular weight 298.03 g/mol. IUPAC: 2-[5-oxo-1-(4-sulfophenyl)-4H-pyrazol-3-yl]acetic acid.
Chemical Property Profile of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid
Property Insights of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid
The XLogP value of 0.5007 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid. The TPSA of 124.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid. Following Lipinski's Rule of Five, 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid has 2 hydrogen bond donor(s) and 5 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 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid?
The CAS number of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid is 71872-96-3.
What is the molecular formula of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid?
The molecular formula of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid is C11H10N2O6S.
What is the molecular weight of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid?
The molecular weight of 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid is 298.03 g/mol.
Where can I buy 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid?
You can request a quote for 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.