4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid
TL;DR: 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid (CAS 91088-11-8) is a chemical compound with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid
Also Known As: 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid, 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid, BAS 03812724, 1-(4-sulfophenyl)-3,5-dimethylpyrazole, 4-(3,5-dimethylpyrazolyl)benzenesulfonic acid
| Molecular Formula | C11H12N2O3S |
|---|---|
| Molecular Weight | 252.06 g/mol |
| LogP | 1.73584 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 252.05687 |
| Heavy Atoms | 17 |
| Complexity | 641.8561 |
Chemical Identifiers
| CAS Number | 91088-11-8 |
|---|---|
| SMILES | CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)O)C |
Product Overview
4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid (CAS 91088-11-8), with molecular formula C11H12N2O3S and molecular weight 252.06 g/mol. IUPAC: 4-(3,5-dimethylpyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid
Property Insights of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid
The XLogP value of 1.73584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid. Following Lipinski's Rule of Five, 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid has 1 hydrogen bond donor(s) and 3 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-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid?
The CAS number of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid is 91088-11-8.
What is the molecular formula of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid?
The molecular formula of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid is C11H12N2O3S.
What is the molecular weight of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid?
The molecular weight of 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid is 252.06 g/mol.
Where can I buy 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid?
You can request a quote for 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene-1-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.