1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
TL;DR: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- (CAS 67939-25-7) 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.
1-(2-methyl-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-, 1-(2-methyl-4-sulfophenyl)-5-oxo-4,5-dihydro-1H-pyrazole-3-carboxylic acid, BAS 00127992, 1-(2-methyl-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid, 4,5-Dihydro-1-(2-methyl-4-sulphophenyl)-5-oxo-1H-pyrazole-3-carboxylic acid
| Molecular Formula | C11H10N2O6S |
|---|---|
| Molecular Weight | 298.03 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.02597 |
| Heavy Atoms | 20 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 67939-25-7 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)O)N2C(=O)CC(=N2)C(=O)O |
| InChIKey | WPBFQWYLRKBVCE-UHFFFAOYSA-N |
Product Overview
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- (CAS 67939-25-7), with molecular formula C11H10N2O6S and molecular weight 298.03 g/mol. IUPAC: 1-(2-methyl-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
Property Insights of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-. Following Lipinski's Rule of Five, 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- has 2 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 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-?
The CAS number of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- is 67939-25-7.
What is the molecular formula of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-?
The molecular formula of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- is C11H10N2O6S.
What is the molecular weight of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-?
The molecular weight of 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- is 298.03 g/mol.
Where can I buy 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-?
You can request a quote for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-1-(2-methyl-4-sulfophenyl)-5-oxo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.