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1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole (CAS 587850-75-7) is a chemical compound with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole
Also Known As: SDCCGMLS-0024227.P002, 1-(4-tert-butylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole, 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole, 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole, 1-{[4-(tert-butyl)phenyl]sulfonyl}-3,5-dimethylpyrazole
| Molecular Formula | C15H20N2O2S |
|---|---|
| Molecular Weight | 292.12 g/mol |
| LogP | 3.03444 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 292.12454 |
| Heavy Atoms | 20 |
| Complexity | 720.22424 |
Chemical Identifiers
| CAS Number | 587850-75-7 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole (CAS 587850-75-7), with molecular formula C15H20N2O2S and molecular weight 292.12 g/mol. IUPAC: 1-(4-tert-butylphenyl)sulfonyl-3,5-dimethylpyrazole.
Chemical Property Profile of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.03444 indicates that 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-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-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is 587850-75-7.
What is the molecular formula of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is C15H20N2O2S.
What is the molecular weight of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole is 292.12 g/mol.
Where can I buy 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-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-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-tert-butylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.