3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
TL;DR: 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole (CAS 956759-52-7) is a chemical compound with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
Also Known As: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole, VU0507923-1, 1-(m-mesylphenylsulfonyl)-3,5-dimethylpyrazole, F3043-0060, 3,5-dimethyl-1-{[3-(methylsulfonyl)phenyl]sulfonyl}pyrazole
| Molecular Formula | C12H14N2O4S2 |
|---|---|
| Molecular Weight | 314.04 g/mol |
| LogP | 1.14044 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.0395 |
| Heavy Atoms | 20 |
| Complexity | 864.6123 |
Chemical Identifiers
| CAS Number | 956759-52-7 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)C)C |
Product Overview
3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole (CAS 956759-52-7), with molecular formula C12H14N2O4S2 and molecular weight 314.04 g/mol. IUPAC: 3,5-dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole.
Chemical Property Profile of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
Property Insights of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole
The XLogP value of 1.14044 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole. Following Lipinski's Rule of Five, 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole has 0 hydrogen bond donor(s) and 5 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 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole?
The CAS number of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole is 956759-52-7.
What is the molecular formula of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole?
The molecular formula of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole is C12H14N2O4S2.
What is the molecular weight of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole?
The molecular weight of 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole is 314.04 g/mol.
Where can I buy 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole?
You can request a quote for 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1-(3-methylsulfonylphenyl)sulfonylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.