![1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone structure](/static/products/3240/324009-25-8.webp)
1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone
TL;DR: 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone (CAS 324009-25-8) is a chemical compound with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]ethanone
Also Known As: Bionet2_000976, 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone, 9H-907, 1-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]ethanone, 1-{4-[(benzenesulfonyl)methyl]-3,5-dimethyl-1H-pyrazol-1-yl}ethan-1-one
| Molecular Formula | C14H16N2O3S |
|---|---|
| Molecular Weight | 292.09 g/mol |
| LogP | 2.13394 |
| Topological Polar Surface Area | 69.03 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 292.08817 |
| Heavy Atoms | 20 |
| Complexity | 746.22626 |
Chemical Identifiers
| CAS Number | 324009-25-8 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)C)C)CS(=O)(=O)C2=CC=CC=C2 |
Product Overview
1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone (CAS 324009-25-8), with molecular formula C14H16N2O3S and molecular weight 292.09 g/mol. IUPAC: 1-[4-(benzenesulfonylmethyl)-3,5-dimethylpyrazol-1-yl]ethanone.
Chemical Property Profile of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone
Property Insights of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone
The XLogP value of 2.13394 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone. The TPSA of 69.03 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone. Following Lipinski's Rule of Five, 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone has 0 hydrogen bond donor(s) and 4 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-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone?
The CAS number of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone is 324009-25-8.
What is the molecular formula of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone?
The molecular formula of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone is C14H16N2O3S.
What is the molecular weight of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone?
The molecular weight of 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone is 292.09 g/mol.
Where can I buy 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone?
You can request a quote for 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-{3,5-dimethyl-4-[(phenylsulfonyl)methyl]-1H-pyrazol-1-yl}-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.