3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
TL;DR: 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid (CAS 89280-34-2) is a chemical compound with molecular formula C5H8N2O3S and molecular weight 176.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1H-pyrazole-4-sulfonic acid
Also Known As: 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid, 1H-Pyrazole-4-sulfonic acid, 3,5-dimethyl-, 3,5-Dimethyl-4-pyrazolesulfonic acid, 3,5-dimethylpyrazole-4-sulfonic acid, 3,5-Dimethyl-1H-pyrazole-4-sulfonicacid
| Molecular Formula | C5H8N2O3S |
|---|---|
| Molecular Weight | 176.03 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 91.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.02556 |
| Heavy Atoms | 11 |
| Complexity | 233.0 |
Chemical Identifiers
| CAS Number | 89280-34-2 |
|---|---|
| SMILES | CC1=C(C(=NN1)C)S(=O)(=O)O |
| InChIKey | XWDFGELFGLFBNB-UHFFFAOYSA-N |
Product Overview
3,5-Dimethyl-1H-pyrazole-4-sulfonic acid (CAS 89280-34-2), with molecular formula C5H8N2O3S and molecular weight 176.03 g/mol. IUPAC: 3,5-dimethyl-1H-pyrazole-4-sulfonic acid.
Chemical Property Profile of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
Property Insights of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid
The XLogP value of -0.2 indicates that 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid. Following Lipinski's Rule of Five, 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid has 2 hydrogen bond donor(s) and 4 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 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid?
The CAS number of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid is 89280-34-2.
What is the molecular formula of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid?
The molecular formula of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid is C5H8N2O3S.
What is the molecular weight of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid?
The molecular weight of 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid is 176.03 g/mol.
Where can I buy 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid?
You can request a quote for 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1H-pyrazole-4-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.