1-(4-Tert-butylphenyl)sulfonylpyrazole
TL;DR: 1-(4-Tert-butylphenyl)sulfonylpyrazole (CAS 522598-14-7) is a chemical compound with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)sulfonylpyrazole
Also Known As: 1-(4-tert-butylphenyl)sulfonylpyrazole, 1-[(4-tert-butylphenyl)sulfonyl]-1H-pyrazole, {[4-(tert-butyl)phenyl]sulfonyl}pyrazole, 1-{[4-(TERT-BUTYL)PHENYL]SULFONYL}-1H-PYRAZOLE
| Molecular Formula | C13H16N2O2S |
|---|---|
| Molecular Weight | 264.09 g/mol |
| LogP | 2.4176 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.09326 |
| Heavy Atoms | 18 |
| Complexity | 620.6308 |
Chemical Identifiers
| CAS Number | 522598-14-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2C=CC=N2 |
Product Overview
1-(4-Tert-butylphenyl)sulfonylpyrazole (CAS 522598-14-7), with molecular formula C13H16N2O2S and molecular weight 264.09 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonylpyrazole.
Chemical Property Profile of 1-(4-Tert-butylphenyl)sulfonylpyrazole
Property Insights of 1-(4-Tert-butylphenyl)sulfonylpyrazole
The XLogP value of 2.4176 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Tert-butylphenyl)sulfonylpyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 1-(4-Tert-butylphenyl)sulfonylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Tert-butylphenyl)sulfonylpyrazole has 0 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 1-(4-Tert-butylphenyl)sulfonylpyrazole?
The CAS number of 1-(4-Tert-butylphenyl)sulfonylpyrazole is 522598-14-7.
What is the molecular formula of 1-(4-Tert-butylphenyl)sulfonylpyrazole?
The molecular formula of 1-(4-Tert-butylphenyl)sulfonylpyrazole is C13H16N2O2S.
What is the molecular weight of 1-(4-Tert-butylphenyl)sulfonylpyrazole?
The molecular weight of 1-(4-Tert-butylphenyl)sulfonylpyrazole is 264.09 g/mol.
Where can I buy 1-(4-Tert-butylphenyl)sulfonylpyrazole?
You can request a quote for 1-(4-Tert-butylphenyl)sulfonylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Tert-butylphenyl)sulfonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Tert-butylphenyl)sulfonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.