Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-
TL;DR: Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- (CAS 475-50-3) is a chemical compound with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 3,4-Dimethyl-1-(4-sulfophenyl)pyrazol-5-one, 3,4-Dimethyl-1-(4-sulfophenyl)pyrazol-5(4H)-one, Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-, 4-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid, 4-(3,4-dimethyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid
| Molecular Formula | C11H12N2O4S |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0518 |
| Heavy Atoms | 18 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 475-50-3 |
|---|---|
| SMILES | CC1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C |
| InChIKey | VFNOFXXKKALBEP-UHFFFAOYSA-N |
Product Overview
Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- (CAS 475-50-3), with molecular formula C11H12N2O4S and molecular weight 268.05 g/mol. IUPAC: 4-(3,4-dimethyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-
Property Insights of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-. Following Lipinski's Rule of Five, Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- has 1 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 Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-?
The CAS number of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- is 475-50-3.
What is the molecular formula of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular formula of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- is C11H12N2O4S.
What is the molecular weight of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-?
The molecular weight of Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- is 268.05 g/mol.
Where can I buy Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-?
You can request a quote for Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzenesulfonic acid, 4-(4,5-dihydro-3,4-dimethyl-5-oxo-1H-pyrazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.