1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
TL;DR: 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CAS 309738-72-5) is a chemical compound with molecular formula C12H13BrN2O2S and molecular weight 327.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
Also Known As: 1-(5-bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole, 1-[(5-bromo-2-methylphenyl)sulfonyl]-3,5-dimethyl-1H-pyrazole, 1-(5-bromo-2-methylbenzenesulfonyl)-3,5-dimethyl-1H-pyrazole, 2-[(3,5-dimethylpyrazolyl)sulfonyl]-4-bromo-1-methylbenzene
| Molecular Formula | C12H13BrN2O2S |
|---|---|
| Molecular Weight | 327.99 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.9881 |
| Heavy Atoms | 18 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 309738-72-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Br)S(=O)(=O)N2C(=CC(=N2)C)C |
| InChIKey | FPXCSSWHBBQLRI-UHFFFAOYSA-N |
Product Overview
1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole (CAS 309738-72-5), with molecular formula C12H13BrN2O2S and molecular weight 327.99 g/mol. IUPAC: 1-(5-bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole.
Chemical Property Profile of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
Property Insights of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole
The XLogP value of 3.3 indicates that 1-(5-Bromo-2-methylphenyl)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-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole. Following Lipinski's Rule of Five, 1-(5-Bromo-2-methylphenyl)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-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The CAS number of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole is 309738-72-5.
What is the molecular formula of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The molecular formula of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole is C12H13BrN2O2S.
What is the molecular weight of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
The molecular weight of 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole is 327.99 g/mol.
Where can I buy 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
You can request a quote for 1-(5-Bromo-2-methylphenyl)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-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-Bromo-2-methylphenyl)sulfonyl-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.