1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
TL;DR: 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole (CAS 907985-80-2) is a chemical compound with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)sulfonyl-3-methylpyrazole
Also Known As: 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole, SDCCGMLS-0032047.P002, 1-(4-tert-butylphenyl)sulfonyl-3-methylpyrazole, 1-{[4-(tert-butyl)phenyl]sulfonyl}-3-methylpyrazole, 1-[(4-tert-butylphenyl)sulfonyl]-3-methyl-1H-pyrazole
| Molecular Formula | C14H18N2O2S |
|---|---|
| Molecular Weight | 278.11 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 278.1089 |
| Heavy Atoms | 19 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 907985-80-2 |
|---|---|
| SMILES | CC1=NN(C=C1)S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C |
| InChIKey | XXMXXUSAMCNMJD-UHFFFAOYSA-N |
Product Overview
1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole (CAS 907985-80-2), with molecular formula C14H18N2O2S and molecular weight 278.11 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonyl-3-methylpyrazole.
Chemical Property Profile of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
Property Insights of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole
The XLogP value of 3.5 indicates that 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole. Following Lipinski's Rule of Five, 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole 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-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole?
The CAS number of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole is 907985-80-2.
What is the molecular formula of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole?
The molecular formula of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole is C14H18N2O2S.
What is the molecular weight of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole?
The molecular weight of 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole is 278.11 g/mol.
Where can I buy 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole?
You can request a quote for 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole 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-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-((4-(tert-butyl)phenyl)sulfonyl)-3-methyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.