1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole
TL;DR: 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole (CAS 13658-69-0) is a chemical compound with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole
Also Known As: 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole, 1-((4-bromophenyl)sulfonyl)-3,5-dimethyl-1H-pyrazole, BAS 00655727, BIM-0016169.P001, 1-[(4-bromophenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole
| Molecular Formula | C11H11BrN2O2S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.97247 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 13658-69-0 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)C2=CC=C(C=C2)Br)C |
| InChIKey | VYEZMDLNVFMADT-UHFFFAOYSA-N |
Product Overview
1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole (CAS 13658-69-0), with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol. IUPAC: 1-(4-bromophenyl)sulfonyl-3,5-dimethylpyrazole.
Chemical Property Profile of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole
Property Insights of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole
The XLogP value of 3.0 indicates that 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole 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-Bromophenyl)sulfonyl-3,5-dimethylpyrazole. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole 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-Bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The CAS number of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole is 13658-69-0.
What is the molecular formula of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The molecular formula of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole is C11H11BrN2O2S.
What is the molecular weight of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole?
The molecular weight of 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole is 313.97 g/mol.
Where can I buy 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole?
You can request a quote for 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)sulfonyl-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.