1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
TL;DR: 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole (CAS 130874-32-7) 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-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole
Also Known As: 1-BENZENESULFONYL-4-BROMO-3,5-DIMETHYL-1H-PYRAZOLE, 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole, 3612AD, 4-BRMO-35-DIMETHL-1-PHENLSU 1G., 1-(benzenesulfonyl)-4-bromo-3,5-dimethyl-pyrazole
| Molecular Formula | C11H11BrN2O2S |
|---|---|
| Molecular Weight | 313.97 g/mol |
| LogP | 2.49944 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 313.97247 |
| Heavy Atoms | 17 |
| Complexity | 647.611 |
Chemical Identifiers
| CAS Number | 130874-32-7 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=CC=CC=C2)C)Br |
Product Overview
1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole (CAS 130874-32-7), with molecular formula C11H11BrN2O2S and molecular weight 313.97 g/mol. IUPAC: 1-(benzenesulfonyl)-4-bromo-3,5-dimethylpyrazole.
Chemical Property Profile of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
Property Insights of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole
The XLogP value of 2.49944 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole. With a topological polar surface area (TPSA) of 51.96 Ų, 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzenesulfonyl-4-bromo-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-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole is 130874-32-7.
What is the molecular formula of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole is C11H11BrN2O2S.
What is the molecular weight of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole is 313.97 g/mol.
Where can I buy 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-Benzenesulfonyl-4-bromo-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-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzenesulfonyl-4-bromo-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.