1-Benzylsulfonyl-3,5-dimethylpyrazole
TL;DR: 1-Benzylsulfonyl-3,5-dimethylpyrazole (CAS 13658-76-9) is a chemical compound with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-benzylsulfonyl-3,5-dimethylpyrazole
Also Known As: 1-benzylsulfonyl-3,5-dimethylpyrazole, 1-(benzylsulfonyl)-3,5-dimethyl-1H-pyrazole, BAS 01173476, 1H-Pyrazole, 3,5-dimethyl-1-[(phenylmethyl)sulfonyl]-, 3,5-Dimethyl-1-phenylmethanesulfonyl-1H-pyrazole
| Molecular Formula | C12H14N2O2S |
|---|---|
| Molecular Weight | 250.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0776 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 13658-76-9 |
|---|---|
| SMILES | CC1=CC(=NN1S(=O)(=O)CC2=CC=CC=C2)C |
| InChIKey | VCWLUFSEFFJCSJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Benzylsulfonyl-3,5-dimethylpyrazole (CAS 13658-76-9), with molecular formula C12H14N2O2S and molecular weight 250.08 g/mol. IUPAC: 1-benzylsulfonyl-3,5-dimethylpyrazole.
Chemical Property Profile of 1-Benzylsulfonyl-3,5-dimethylpyrazole
Property Insights of 1-Benzylsulfonyl-3,5-dimethylpyrazole
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Benzylsulfonyl-3,5-dimethylpyrazole. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Benzylsulfonyl-3,5-dimethylpyrazole. Following Lipinski's Rule of Five, 1-Benzylsulfonyl-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-Benzylsulfonyl-3,5-dimethylpyrazole?
The CAS number of 1-Benzylsulfonyl-3,5-dimethylpyrazole is 13658-76-9.
What is the molecular formula of 1-Benzylsulfonyl-3,5-dimethylpyrazole?
The molecular formula of 1-Benzylsulfonyl-3,5-dimethylpyrazole is C12H14N2O2S.
What is the molecular weight of 1-Benzylsulfonyl-3,5-dimethylpyrazole?
The molecular weight of 1-Benzylsulfonyl-3,5-dimethylpyrazole is 250.08 g/mol.
Where can I buy 1-Benzylsulfonyl-3,5-dimethylpyrazole?
You can request a quote for 1-Benzylsulfonyl-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-Benzylsulfonyl-3,5-dimethylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzylsulfonyl-3,5-dimethylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.